Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 15/20 | 0.52 |
| ▸ | KDR | P35968 | 3/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7184665 | 0.90 | CHEK1 (0.51) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7832418 | 0.88 | CHEK1 (0.51) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7840336 | 0.87 | CHEK1 (0.57) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7094187 | 0.86 | CHEK1 (0.53) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7094279 | 0.82 | KDR (0.58) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7840666 | 0.82 | CHEK1 (0.51) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7838497 | 0.81 | CHEK1 (0.49) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7701136 | 0.80 | CHEK1 (0.64) | CHEK1KDRCDK1CDK2NPC1 | |
| SCHEMBL7832987 | 0.80 | CHEK1 (0.54) | CHEK1KDRCDK1CDK2 | |
| SCHEMBL7697858 | 0.80 | CDK1 (0.60) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |