Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 14/20 | 0.71 |
| ▸ | CDK2 | P24941 | 9/20 | 0.71 |
| ▸ | CCNB2 | O95067 | 8/20 | 0.71 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.71 |
| ▸ | CCNB3 | Q8WWL7 | 8/20 | 0.71 |
| ▸ | CDK4 | P11802 | 3/20 | 0.71 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.71 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.71 |
| ▸ | CCND1 | P24385 | 3/20 | 0.71 |
| ▸ | MAPK3 | P27361 | 3/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.71 |
| ▸ | KDR | P35968 | 3/20 | 0.71 |
| ▸ | GSK3A | P49840 | 3/20 | 0.71 |
| ▸ | GSK3B | P49841 | 3/20 | 0.71 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.71 |
| ▸ | EGFR | P00533 | 2/20 | 0.71 |
| ▸ | INSR | P06213 | 2/20 | 0.71 |
| ▸ | JAK1 | P23458 | 6/20 | 0.65 |
| ▸ | TYK2 | P29597 | 6/20 | 0.65 |
| ▸ | JAK3 | P52333 | 5/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL5727292 | 0.92 | CDK1 (0.83) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5726353 | 0.90 | CDK1 (0.68) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5726923 | 0.89 | CDK1 (0.67) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5964771 | 0.88 | CDK1 (0.65) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5110157 | 0.87 | CDK1 (0.83) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5964702 | 0.84 | CDK1 (0.82) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5725430 | 0.83 | CDK1 (0.84) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5964639 | 0.83 | CDK1 (0.59) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5964877 | 0.83 | CDK1 (0.56) | CDK1CDK2CCNB2CCNB1CCNB3 | |
| SCHEMBL5726856 | 0.82 | CDK1 (0.74) | CDK1CDK2CCNB2CCNB1CCNB3 |
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-1712550-A2 | Substituted triazole diamine derivatives as kinase inhibitors | Ortho-McNeil Pharmaceutical, Inc. (US) | 2006-10-18 | — | — | EP | disclosed |
| EP-1355889-B1 | SUBSTITUTED TRIAZOLE DIAMINE DERIVATIVES AS KINASE INHIBITORS | ORTHO MCNEIL PHARM INC (US) | 2006-06-07 | — | — | EP | disclosed |