Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 14/20 | 0.72 |
| ▸ | AURKA | O14965 | 11/20 | 0.72 |
| ▸ | CDK9 | P50750 | 11/20 | 0.72 |
| ▸ | AURKB | Q96GD4 | 10/20 | 0.72 |
| ▸ | CDK4 | P11802 | 10/20 | 0.72 |
| ▸ | WEE1 | P30291 | 5/20 | 0.72 |
| ▸ | CDK1 | P06493 | 5/20 | 0.72 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.72 |
| ▸ | FLT3 | P36888 | 4/20 | 0.72 |
| ▸ | GSK3B | P49841 | 3/20 | 0.72 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.72 |
| ▸ | DAPK3 | O43293 | 3/20 | 0.72 |
| ▸ | JAK2 | O60674 | 3/20 | 0.72 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.72 |
| ▸ | PAK4 | O96013 | 3/20 | 0.72 |
| ▸ | ABL1 | P00519 | 3/20 | 0.72 |
| ▸ | FYN | P06241 | 3/20 | 0.72 |
| ▸ | CSF1R | P07333 | 3/20 | 0.72 |
| ▸ | RET | P07949 | 3/20 | 0.72 |
| ▸ | MET | P08581 | 3/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL6209137 | 0.91 | CDK2 (0.74) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL5596571 | 0.89 | GSK3B (0.75) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL5159297 | 0.87 | CDK2 (0.75) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL5161475 | 0.87 | GSK3B (0.72) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL27664893 | 0.85 | CDK2 (0.70) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL5161854 | 0.85 | GSK3B (0.57) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL5161340 | 0.85 | CDK2 (0.57) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL4167448 | 0.85 | CDK2 (0.83) | CDK2AURKACDK9AURKBCDK4 | |
| SCHEMBL4172272 | 0.84 | CDK2 (0.81) | CDK2AURKACDK9AURKBCDK4 | |
| Cyc-116 SCHEMBL29366353 | 0.84 | CDK2 (1.00) | CDK2AURKACDK9AURKBCDK4 |
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-1756098-A2 | 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Cyclacel Limited (GB) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005116025-A2 | 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | CYCLACEL LIMITED (GB) | 2005-12-08 | — | — | WO | disclosed |