Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL28392100 | 0.91 | NISCH (0.43) | NISCHMAPK1ROCK2ADORA2AADORA1 | |
| SCHEMBL17447977 | 0.88 | NISCH (0.37) | NISCHMAPK1ROCK2MAOBADORA2A | |
| SCHEMBL17447928 | 0.79 | PIK3CD (0.44) | — | |
| SCHEMBL17447920 | 0.79 | PIK3CD (0.44) | — | |
| SCHEMBL17447930 | 0.77 | NISCH (0.44) | NISCHMAPK1ROCK2 | |
| SCHEMBL17447943 | 0.71 | SIRT2 (0.39) | NISCHROCK2ADORA2AADORA1HDAC1 | |
| SCHEMBL17447918 | 0.71 | NISCH (0.39) | NISCH | |
| SCHEMBL28395573 | 0.71 | NISCH (0.39) | NISCH | |
| SCHEMBL17443382 | 0.67 | SIRT2 (0.43) | NISCHADORA2AADORA1 | |
| SCHEMBL29949967 | 0.66 | TP53 (0.52) | ROCK2MAOBADORA2AADORA1HDAC1 |
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 |