Rank compounds against kinases

Pick one or more kinases, supply two or more compounds, and the model orders them per kinase. Scores are a predicted pIC50 on the model’s own scale — use the ordering, not the absolute value. Each kinase is reported separately, because per-target performance varies widely.

What we record. Runs on this page are logged for research and operational monitoring: the kinases selected, the structures submitted, the number of compounds, your IP address and an approximate location. Do not submit structures you are not free to disclose.

1 · Kinase targets

From the validated panel (478 kinases)

Cmd/Ctrl-click for several. 0 selected

Or paste your own protein sequence

Outside the validated panel. A pasted sequence that is not one of the 478 will still be scored, but the model’s own validation measured unseen-kinase ranking at 0.48–0.52 — chance. Results will be flagged and should be treated as unvalidated.

2 · Compounds

Ligand 1 — draw

Ligand 2 — draw

Or paste / upload a SMILES list (one per line, optional name after a space or tab)

up to 10 structures per run, drawn and pasted combined

Rank compounds against kinases

1 · Kinase targets

2 · Compounds

3 · Run