Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | AURKA | O14965 | 3/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 2/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21600778 | 0.89 | GSK3B (0.47) | GSK3BAURKAGSK3ASYKPLK1 | |
| SCHEMBL28537290 | 0.82 | EGFR (0.46) | AURKASYKPLK1EGFRLRRK2 | |
| SCHEMBL21596345 | 0.82 | SYK (0.42) | GSK3BAURKAGSK3ASYKPLK1 | |
| SCHEMBL21600790 | 0.81 | MAPK3 (0.52) | EGFR | |
| SCHEMBL21596390 | 0.81 | AURKA (0.58) | GSK3BAURKAGSK3ASYKPLK1 | |
| SCHEMBL30379300 | 0.81 | AURKA (0.58) | GSK3BAURKAGSK3ASYKPLK1 | |
| SCHEMBL21596344 | 0.75 | GSK3B (0.54) | GSK3BAURKAGSK3ASYKPLK1 | |
| SCHEMBL30380004 | 0.75 | GSK3B (0.54) | GSK3BAURKAGSK3ASYKPLK1 | |
| SCHEMBL21596346 | 0.74 | CDK1 (0.55) | GSK3BAURKAEGFRKDRCDK1 | |
| SCHEMBL30380205 | 0.74 | CDK1 (0.55) | GSK3BAURKAEGFRKDRCDK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |