Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK2 | O43353 | 3/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 6/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.34 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17448005 | 0.86 | RAB9A (0.46) | RIPK2HTTLMNACYP1A2CYP3A4 | |
| SCHEMBL17447808 | 0.84 | BTK (0.39) | RIPK2 | |
| SCHEMBL17447927 | 0.73 | LMNA (0.36) | RIPK1LMNAPIK3CDPIK3CAPIK3CB | |
| SCHEMBL17447789 | 0.71 | MTNR1A (0.34) | SRCPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL28389945 | 0.71 | MTNR1A (0.34) | SRCPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL17448039 | 0.71 | MTNR1A (0.32) | PIK3CDPIK3CAPIK3CBPIK3CGMTNR1A | |
| SCHEMBL17447925 | 0.71 | PARP1 (0.42) | SRCCYP3A4 | |
| SCHEMBL28390762 | 0.71 | PARP1 (0.42) | SRCCYP3A4 | |
| SCHEMBL17447905 | 0.70 | PARP1 (0.41) | SRCKDRPIK3CDPIK3CAPIK3CB | |
| SCHEMBL17447803 | 0.70 | PARP1 (0.41) | SRCKDRPIK3CDPIK3CAPIK3CB |
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 |