Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.44 |
| ▸ | AURKA | O14965 | 5/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 5/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | IKBKE | Q14164 | 3/20 | 0.35 |
| ▸ | MARK3 | P27448 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | BRSK2 | Q8IWQ3 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | ULK1 | O75385 | 2/20 | 0.34 |
| ▸ | ULK2 | Q8IYT8 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4237223 | 0.89 | AURKA (0.44) | CDK1AURKACCNB1NTSR1CYP3A4 | |
| SCHEMBL3387648 | 0.85 | TBK1 (0.50) | CDK1AURKACCNB1TBK1IKBKE | |
| SCHEMBL3387635 | 0.77 | TBK1 (0.50) | CDK1AURKACCNB1TBK1SMYD3 | |
| SCHEMBL13431853 | 0.74 | TBK1 (0.71) | TBK1IKBKEMARK3CDK2BRSK2 | |
| SCHEMBL3385888 | 0.70 | TBK1 (0.49) | TBK1STK17A | |
| SCHEMBL3389016 | 0.69 | TBK1 (0.53) | TBK1IGF1RIKBKEMARK3CDK2 | |
| SCHEMBL3384168 | 0.69 | TBK1 (0.62) | TBK1IKBKEMARK3CDK2BRSK2 | |
| SCHEMBL3386128 | 0.68 | TBK1 (0.52) | TBK1IGF1RIKBKEMARK3CDK2 | |
| SCHEMBL3388981 | 0.66 | SMYD3 (0.42) | NTSR1CYP3A4CYP2C19SMYD3 | |
| SCHEMBL3383970 | 0.65 | TBK1 (0.72) | TBK1IGF1RIKBKEMARK3CDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009122180-A1 | PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES | MEDICAL RESEARCH COUNCIL (GB) | 2009-10-08 | — | — | WO | disclosed |