Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | PRKACG | P22612 | 1/20 | 0.32 |
| ▸ | PRKACB | P22694 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447930 | 0.88 | NISCH (0.44) | NISCHMAPKAPK2CDK5DYRK1ACDK5R1 | |
| SCHEMBL17448011 | 0.84 | ALK (0.40) | PIK3CGROCK2 | |
| SCHEMBL17447898 | 0.83 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447896 | 0.83 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447977 | 0.78 | NISCH (0.37) | NISCHROCK2MAPK1 | |
| SCHEMBL17447964 | 0.74 | CTSD (0.35) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447901 | 0.72 | MAPKAPK2 (0.37) | MAPKAPK2CDK5DYRK1ACDK5R1PRKACA | |
| SCHEMBL31278318 | 0.72 | PRKACA (0.46) | CDK5DYRK1ACDK5R1PRKACAPRKACG | |
| SCHEMBL31278050 | 0.72 | PRKACA (0.39) | PRKACAPRKACGPRKACB | |
| SCHEMBL17447883 | 0.71 | MAPT (0.46) | NISCHPRKACAPRKACGPRKACBMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106687446-B | 5-amino-4-carbamoyl-pyrazole compounds as selective and irreversible kinase inhibitors of T790M/WT-EGFR and uses thereof | 百济神州(北京)生物科技有限公司 | 2020-04-28 | — | — | CN | disclosed |
| WO-2016008411-A1 | 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF | BEIGENE, LTD. (KY) | 2016-01-21 | — | — | WO | disclosed |