Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 16/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.40 |
| ▸ | STK4 | Q13043 | 1/20 | 0.36 |
| ▸ | STK3 | Q13188 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5060320 | 0.83 | KIT (0.50) | CHEK1CDK7KIT | |
| SCHEMBL4288130 | 0.79 | CHEK1 (0.66) | CHEK1CDK7 | |
| SCHEMBL4294475 | 0.73 | CHEK1 (0.66) | CHEK1CDK7 | |
| SCHEMBL4296388 | 0.68 | CHEK1 (0.67) | CHEK1CDK7 | |
| SCHEMBL4287450 | 0.64 | CHEK1 (0.54) | CHEK1CDK7 | |
| SCHEMBL4287489 | 0.61 | CHEK1 (0.76) | CHEK1CDK7 | |
| SCHEMBL4287448 | 0.61 | CHEK1 (0.68) | CHEK1CDK7 | |
| SCHEMBL30366365 | 0.61 | SIRT2 (0.59) | STK4STK3LRRK2AURKARPS6KB1 | |
| SCHEMBL4287449 | 0.59 | CHEK1 (1.00) | CHEK1CDK7 | |
| SCHEMBL30353192 | 0.59 | NTRK1 (0.50) | LRRK2AURKA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893607-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006135604-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2006-12-21 | — | — | WO | disclosed |