Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21596355 | 0.89 | SYK (0.44) | SYKAURKAGSK3BGSK3ALRRK2 | |
| SCHEMBL28529178 | 0.83 | SYK (0.39) | SYKAURKAGSK3BGSK3ALRRK2 | |
| SCHEMBL21600780 | 0.82 | GSK3B (0.45) | SYKAURKAGSK3BGSK3ALRRK2 | |
| SCHEMBL28537290 | 0.76 | EGFR (0.46) | SYKAURKALRRK2PLK1SLC2A1 | |
| SCHEMBL21596390 | 0.74 | AURKA (0.58) | SYKAURKAGSK3BGSK3ALRRK2 | |
| SCHEMBL30379300 | 0.74 | AURKA (0.58) | SYKAURKAGSK3BGSK3ALRRK2 | |
| SCHEMBL21600790 | 0.74 | MAPK3 (0.52) | EGFRALK | |
| SCHEMBL21600778 | 0.71 | GSK3B (0.47) | SYKAURKAGSK3BGSK3APLK1 | |
| SCHEMBL441088 | 0.68 | AURKA (0.73) | SYKAURKAGSK3BGSK3ALRRK2 | |
| SCHEMBL21596344 | 0.68 | GSK3B (0.54) | SYKAURKAGSK3BGSK3APLK1 |
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 3 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 |