---
title: "Target to lead"
description: Take a target from structure to a druggable, synthesizable starting point.
tags:
  - recipes
  - design
tools:
  - target-to-lead
  - structure-to-procurement
  - reinvent4-screen
generated: true
---

> **Try it in a guest chat**

> Take a target from structure to a druggable, synthesizable starting point. Every prompt below is verbatim from the curated quick-action
> chips, so it runs the real routing. Open one in a guest chat (no account
> needed), edit the compound or target, and send.

**Best fit:** take a target from structure to a druggable, synthesizable starting point.

## Try it — target to lead

**Try this prompt** — [open in a guest chat](/chat/new?guest=true&prompt=Fetch%20BRD4%20from%20UniProt%20(O60885)%2C%20predict%20structure%20with%20ESMFold%2C%20dock%20JQ1%20(look%20up%20in%20PubChem)%20with%20DiffDock%2C%20screen%20ADMET%2C%20and%20plan%20synthesis%20-%20is%20this%20bromodomain%20target%20tractable%20for%20oral%20small%20molecules%2C%20and%20recommend%20the%20top%20ADMET%20liability%20to%20address%20in%20a%20next-generation%20BRD4%20inhibitor%3F).

> Fetch BRD4 from UniProt (O60885), predict structure with ESMFold, dock JQ1 (look up in PubChem) with DiffDock, screen ADMET, and plan synthesis - is this bromodomain target tractable for oral small molecules, and recommend the top ADMET liability to address in a next-generation BRD4 inhibitor?

_Seeded from the target-to-lead quick-action chip — open it in a guest chat, then change the compound or target._

## Try it — structure to procurement

**Try this prompt** — [open in a guest chat](/chat/new?guest=true&prompt=Download%20EGFR%20kinase%20(PDB%3A%201M17)%2C%20dock%20gefitinib%20with%20DiffDock%2C%20screen%20ADMET%20with%20ADMET-AI%2C%20plan%20synthesis%20with%20AiZynthFinder%2C%20then%20check%20MolPort%20for%20building%20block%20availability%20-%20is%20the%20full%20route%20feasible%2C%20and%20select%20the%20optimal%20synthetic%20route%20for%20a%201g%20pilot%20synthesis%20order%3F).

> Download EGFR kinase (PDB: 1M17), dock gefitinib with DiffDock, screen ADMET with ADMET-AI, plan synthesis with AiZynthFinder, then check MolPort for building block availability - is the full route feasible, and select the optimal synthetic route for a 1g pilot synthesis order?

_Seeded from the structure-to-procurement quick-action chip — open it in a guest chat, then change the compound or target._

## Try it — reinvent4 screen

<TryPrompt   prompt="Run REINVENT4 de novo design targeting the CDK4/6 binding site with palbociclib as the seed structure, generate 200 novel molecules, filter by Lipinski compliance and predicted selectivity (CDK4 > CDK2), then dock the top 20 into CDK4 (2W96) — which designs maintain the pyrido[2,3-d]pyrimidinone hinge binding motif while exploring novel solvent-exposed groups?"
  note="Seeded from the reinvent4-screen quick-action chip — open it in a guest chat, then change the compound or target."
/>

## Read next

- [Workflows](/docs/workflows) — every workflow and recipe.
- [Which tool?](/docs/which-tool) — match a single goal to a tool.
- [How the orchestrator picks tools](/docs/how-orchestration-works) — the same chain from a plain-language goal.