Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 12/20 | 0.52 |
| ▸ | CDK2 | P24941 | 12/20 | 0.52 |
| ▸ | CDK4 | P11802 | 10/20 | 0.52 |
| ▸ | CCND1 | P24385 | 10/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.52 |
| ▸ | MAPK7 | Q13164 | 2/20 | 0.52 |
| ▸ | CASK | O14936 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.52 |
| ▸ | STK10 | O94804 | 1/20 | 0.52 |
| ▸ | CDK14 | O94921 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | MAK | P20794 | 1/20 | 0.52 |
| ▸ | CDK11B | P21127 | 1/20 | 0.52 |
| ▸ | TTK | P33981 | 1/20 | 0.52 |
| ▸ | CLK1 | P49759 | 1/20 | 0.52 |
| ▸ | CLK2 | P49760 | 1/20 | 0.52 |
| ▸ | CLK3 | P49761 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 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 | |
|---|---|---|---|---|
| SCHEMBL4730130 | 0.87 | CDK2 (0.64) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL4740110 | 0.83 | CDK1 (0.61) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL4739451 | 0.82 | CDK2 (0.49) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL3520595 | 0.80 | CDK1 (0.79) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL4740788 | 0.80 | CDK2 (0.47) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL4738247 | 0.79 | JAK2 (0.44) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL4730769 | 0.77 | CDK1 (0.67) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL3520103 | 0.73 | CDK2 (0.68) | CDK1CDK2CDK4CCND1CDK5 | |
| SCHEMBL4348415 | 0.70 | CDK2 (0.80) | CDK1CDK2CDK4CCND1CDK5 | |
| Rg-547 SCHEMBL2397067 | 0.68 | CDK1 (1.00) | CDK1CDK2CDK4CCND1CDK5 |
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-1957466-A1 | 4-AMINOPYRIMIDINE-5-THIONE-DERIVATIVES FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007060110-A1 | 4-AMINOPYRIMIDINE-5-THIONE-DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-05-31 | — | — | WO | disclosed |