Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | ABL1 | P00519 | 2/20 | 0.45 |
| ▸ | BCR | P11274 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CDK7 | P50613 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL741609 | 0.91 | AURKA (0.52) | AURKATP53NPC1RAB9AABL1 | |
| SCHEMBL740292 | 0.90 | AURKA (0.55) | AURKANPC1RAB9AABL1BCR | |
| SCHEMBL742124 | 0.87 | AURKA (0.48) | AURKATP53NPC1RAB9AABL1 | |
| SCHEMBL739779 | 0.87 | AURKA (0.52) | AURKANPC1RAB9AABL1BCR | |
| SCHEMBL4632762 | 0.86 | SMN1; SMN2 (0.51) | TP53NPC1RAB9ASMN1; SMN2CDK7 | |
| SCHEMBL1779927 | 0.85 | RXFP1 (0.49) | AURKANPC1RAB9AABL1BCR | |
| SCHEMBL739893 | 0.84 | RAB9A (0.48) | AURKATP53NPC1RAB9AABL1 | |
| SCHEMBL740809 | 0.84 | AURKA (0.52) | AURKAABL1BCRCDK7CDK2 | |
| SCHEMBL740955 | 0.84 | CDK7 (0.48) | AURKAABL1BCRSMN1; SMN2CDK7 | |
| SCHEMBL742320 | 0.84 | AURKA (0.44) | AURKANPC1RAB9AABL1BCR |
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 |