Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.56 |
| ▸ | KDR | P35968 | 3/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | SGK1 | O00141 | 2/20 | 0.45 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | AKT2 | P31751 | 2/20 | 0.45 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | PRKCG | P05129 | 1/20 | 0.45 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.44 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6999226 | 0.89 | CHEK1 (0.60) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7000847 | 0.85 | CHEK1 (0.60) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL6999537 | 0.84 | CHEK1 (0.69) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7094713 | 0.83 | CHEK1 (0.60) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7089369 | 0.82 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7091655 | 0.81 | CHEK1 (0.60) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL6998448 | 0.81 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL6998882 | 0.80 | CHEK1 (0.55) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7704667 | 0.80 | NPC1 (0.54) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7092482 | 0.80 | CHEK1 (0.59) | CHEK1KDRCDK1CDK2NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1289525-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | Abbott GmbH & Co. KG (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| WO-2001087846-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) | 2001-11-22 | — | — | WO | disclosed |
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |