Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | BCR | P11274 | 2/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | NCS1 | P62166 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1780888 | 0.96 | RXFP1 (0.46) | AURKAABL1BCRCDC7MAP4K4 | |
| SCHEMBL2416143 | 0.91 | NPC1 (0.43) | CDC7MAP4K4PIM1CDK2GSK3B | |
| SCHEMBL741093 | 0.87 | AURKA (0.46) | AURKAABL1BCRMAP4K4PIM1 | |
| SCHEMBL4632642 | 0.86 | ADORA3 (0.48) | CDC7MAP4K4PIM1CDK2GSK3B | |
| SCHEMBL1780795 | 0.86 | AURKA (0.45) | AURKAABL1BCRRXFP1 | |
| SCHEMBL2411496 | 0.85 | KCNK3 (0.52) | CDC7MAP4K4PIM1CDK2GSK3B | |
| SCHEMBL1779927 | 0.85 | RXFP1 (0.49) | AURKAABL1BCRNPC1RAB9A | |
| SCHEMBL740292 | 0.85 | AURKA (0.55) | AURKAABL1BCRCDK2NPC1 | |
| SCHEMBL741609 | 0.85 | AURKA (0.52) | AURKAABL1BCRCDK2ADORA3 | |
| SCHEMBL1779700 | 0.85 | AURKA (0.50) | AURKAABL1BCRNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |