Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 12/20 | 0.52 |
| ▸ | CDK4 | P11802 | 10/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 3/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.43 |
| ▸ | CDK7 | P50613 | 2/20 | 0.43 |
| ▸ | CDK9 | P50750 | 2/20 | 0.43 |
| ▸ | CCNH | P51946 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | ABL2 | P42684 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6158465 | 0.82 | CDK2 (0.75) | CDK2CDK4ABL1CCNT1CDK1 | |
| SCHEMBL6157065 | 0.78 | CDK2 (0.70) | CDK2CDK4ABL1CCNT1CDK1 | |
| SCHEMBL14254276 | 0.78 | PIK3CA (0.51) | CDK2CDK4ABCG2ABCC1IKBKB | |
| SCHEMBL7084672 | 0.78 | CDK2 (0.47) | CDK2CDK4ABCG2ABCC1IKBKB | |
| SCHEMBL14254270 | 0.75 | SRC (0.50) | CDK2CDK4IKBKBABL1PLK1 | |
| SCHEMBL14254260 | 0.74 | DKK1 (0.59) | ABCG2ABCC1IKBKBABL1GSK3B | |
| SCHEMBL14254274 | 0.73 | ABCG2 (0.54) | CDK2CDK4ABCG2IKBKBABL1 | |
| SCHEMBL14254254 | 0.73 | PIK3CA (0.68) | CDK2CDK4ABCG2IKBKBABL1 | |
| SCHEMBL14253963 | 0.73 | PLK1 (0.57) | IKBKBABL1GSK3BPLK1BCR | |
| SCHEMBL14254214 | 0.72 | ABL1 (0.55) | CDK2CDK4IKBKBABL1GSK3B |
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-1274705-A1 | 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS | Cyclacel Limited (GB) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001072745-A1 | 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS | CYCLACEL LIMITED (GB) | 2001-10-04 | — | — | WO | disclosed |