Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.64 |
| ▸ | KDR | P35968 | 5/20 | 0.56 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6996358 | 0.87 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2 | |
| Hydrochloric Acid SCHEMBL7002615 | 0.86 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7703652 | 0.85 | KDR (0.57) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7095531 | 0.82 | KDR (0.61) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7094319 | 0.81 | CHEK1 (0.66) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL6998707 | 0.80 | KDR (0.57) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7701117 | 0.78 | CHEK1 (0.51) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7701136 | 0.78 | CHEK1 (0.64) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL6998333 | 0.77 | KDR (0.61) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7696820 | 0.77 | CHEK1 (0.73) | CHEK1KDRCDK1CDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268437-A1 | INHIBITORS OF PROTEIN KINASES | Knoll GmbH (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002030908-A1 | INHIBITORS OF PROTEIN KINASES | KNOLL GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| US-6297238-B1 | 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |