Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 17/20 | 0.54 |
| ▸ | CDK4 | P11802 | 16/20 | 0.54 |
| ▸ | CCND1 | P24385 | 16/20 | 0.54 |
| ▸ | CDK2 | P24941 | 16/20 | 0.54 |
| ▸ | CDK9 | P50750 | 2/20 | 0.54 |
| ▸ | CASK | O14936 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | CDKL5 | O76039 | 1/20 | 0.54 |
| ▸ | STK10 | O94804 | 1/20 | 0.54 |
| ▸ | CDK14 | O94921 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | MAK | P20794 | 1/20 | 0.54 |
| ▸ | CDK11B | P21127 | 1/20 | 0.54 |
| ▸ | TTK | P33981 | 1/20 | 0.54 |
| ▸ | CLK1 | P49759 | 1/20 | 0.54 |
| ▸ | CLK2 | P49760 | 1/20 | 0.54 |
| ▸ | CLK3 | P49761 | 1/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4350439 | 0.92 | CDK1 (0.53) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL5654700 | 0.90 | CDK1 (0.56) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL2397064 | 0.89 | CDK1 (0.58) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL4348139 | 0.87 | CDK1 (0.57) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL4350445 | 0.83 | CDK1 (0.50) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL4355434 | 0.82 | CDK1 (0.49) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL4354397 | 0.82 | CDK1 (0.49) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL3524618 | 0.82 | CDK1 (0.48) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL4352964 | 0.80 | CDK1 (0.53) | CDK1CDK4CCND1CDK2CDK9 | |
| SCHEMBL3521768 | 0.80 | CDK2 (0.49) | CDK1CDK4CCND1CDK2CDK9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1628619-A2 | 4-AMINOPYRIMIDINE-5-ONE | F.HOFFMANN-LA ROCHE AG (CH) | 2006-03-01 | — | — | EP | claimed |
| WO-2004069139-A2 | 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY | F.HOFFMANN-LA ROCHE AG (CH) | 2004-08-19 | — | — | WO | claimed |
| EP-1628619-A2 | 4-AMINOPYRIMIDINE-5-ONE | F.HOFFMANN-LA ROCHE AG (CH) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004069139-A2 | 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY | F.HOFFMANN-LA ROCHE AG (CH) | 2004-08-19 | — | — | WO | disclosed |