Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.50 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | RPS27 | P42677 | 2/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30379219 | 1.00 | AURKA (0.50) | AURKAKDREGFRAURKBJAK2 | |
| SCHEMBL30379929 | 0.88 | AURKA (0.51) | AURKAEGFRCSNK1A1CLK4SYK | |
| SCHEMBL21596396 | 0.88 | AURKA (0.51) | AURKAEGFRCSNK1A1CLK4SYK | |
| SCHEMBL21596356 | 0.88 | AURKA (0.51) | AURKAKDREGFRAURKBJAK2 | |
| SCHEMBL21596343 | 0.82 | AURKA (0.72) | AURKAKDREGFRCSNK1A1CLK4 | |
| SCHEMBL30379364 | 0.82 | AURKA (0.72) | AURKAKDREGFRCSNK1A1CLK4 | |
| SCHEMBL18044981 | 0.82 | LRRK2 (0.49) | AURKAKDRRPS27MAPK8CCNA2 | |
| SCHEMBL21600855 | 0.81 | KDM4E (0.57) | KDREGFRSYKSLC2A1 | |
| SCHEMBL30379431 | 0.79 | PIN1 (0.55) | AURKAKDREGFRCSNK1A1CLK4 | |
| SCHEMBL21596304 | 0.79 | PIN1 (0.55) | AURKAKDREGFRCSNK1A1CLK4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112313207-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-112313207-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-02-02 | — | — | CN | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |