Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | BCR | P11274 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 10/20 | 0.46 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL740292 | 0.86 | AURKA (0.55) | ABL1BCRCDK2AURKACCNA2 | |
| SCHEMBL743086 | 0.85 | AURKA (0.45) | ABL1BCRAURKAMAPK1 | |
| SCHEMBL744354 | 0.84 | AURKA (0.61) | ABL1BCRCDK2AURKAMAPK1 | |
| SCHEMBL4631768 | 0.83 | CDK2 (0.52) | CDK2AURKAMAPK1CCNA2CCNA1 | |
| SCHEMBL743719 | 0.83 | ABL1 (0.55) | ABL1BCRAURKAHDAC1 | |
| SCHEMBL740809 | 0.82 | AURKA (0.52) | ABL1BCRCDK2AURKAMAPK1 | |
| SCHEMBL743308 | 0.82 | AURKA (0.48) | ABL1BCRAURKAMAPK1KDR | |
| SCHEMBL742071 | 0.82 | AURKA (0.46) | ABL1BCRAURKAMAPK1KDR | |
| SCHEMBL739669 | 0.82 | ABL1 (0.53) | ABL1BCRCDK2AURKAMAPK1 | |
| SCHEMBL738866 | 0.82 | AURKA (0.53) | ABL1BCRCDK2AURKACCNA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8138217-B2 | Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2012-03-20 | — | — | US | disclosed |