Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.55 |
| ▸ | KDR | P35968 | 3/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.45 |
| ▸ | EGFR | P00533 | 5/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.43 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.43 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.43 |
| ▸ | STK16 | O75716 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | ULK3 | Q6PHR2 | 1/20 | 0.43 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30380205 | 1.00 | CDK1 (0.55) | CDK1KDRAURKAAURKBLRRK2 | |
| SCHEMBL30379340 | 0.86 | CDK1 (0.59) | CDK1KDRAURKAAURKBLRRK2 | |
| SCHEMBL21596405 | 0.86 | CDK1 (0.59) | CDK1KDRAURKAAURKBLRRK2 | |
| SCHEMBL30379421 | 0.83 | CDK1 (0.54) | CDK1KDRAURKAAURKBLRRK2 | |
| SCHEMBL28532418 | 0.83 | CDK1 (0.54) | CDK1KDRAURKAAURKBLRRK2 | |
| SCHEMBL21596327 | 0.82 | EGFR (0.62) | CDK1KDREGFRJAK3 | |
| SCHEMBL21596390 | 0.80 | AURKA (0.58) | KDRAURKALRRK2GSK3BMAPK1 | |
| SCHEMBL30379300 | 0.80 | AURKA (0.58) | KDRAURKALRRK2GSK3BMAPK1 | |
| SCHEMBL21600778 | 0.76 | GSK3B (0.47) | CDK1KDRAURKAEGFRGSK3B | |
| SCHEMBL21600780 | 0.74 | GSK3B (0.45) | CDK1KDRAURKALRRK2EGFR |
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 |