Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 2/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | GRK5 | P34947 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447898 | 1.00 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL28391913 | 0.85 | ADORA2A (0.36) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447964 | 0.84 | CTSD (0.35) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL28400077 | 0.84 | CTSD (0.35) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447903 | 0.84 | ADORA2A (0.36) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17448043 | 0.83 | NISCH (0.35) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447930 | 0.80 | NISCH (0.44) | PRKACAPRKACGPRKACBCDK5DYRK1A | |
| SCHEMBL17447901 | 0.78 | MAPKAPK2 (0.37) | PRKACAPRKACGPRKACBCDK5DYRK1A | |
| SCHEMBL31278318 | 0.77 | PRKACA (0.46) | PRKACAPRKACGPRKACBCDK5DYRK1A | |
| SCHEMBL17447928 | 0.76 | PIK3CD (0.44) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC |
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 |