Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 7/20 | 0.54 |
| ▸ | KDR | P35968 | 3/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KIT | P10721 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7091231 | 0.92 | CHEK1 (0.56) | CHEK1KDRCDK1CDK2KIT | |
| SCHEMBL7088877 | 0.89 | NPC1 (0.52) | CHEK1KDRNPC1RAB9AKMT2A | |
| SCHEMBL7696243 | 0.89 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7094928 | 0.89 | KDR (0.64) | CHEK1KDRCDK1CDK2NPC1 | |
| Water SCHEMBL7089950 | 0.88 | KDR (0.63) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7700585 | 0.85 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2ROCK2 | |
| SCHEMBL7702867 | 0.85 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7701674 | 0.85 | MEN1 (0.55) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL6994408 | 0.84 | KDR (0.64) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7697888 | 0.83 | CHEK1 (0.57) | 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 3 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 |