Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 13/20 | 0.70 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.70 |
| ▸ | ABL1 | P00519 | 3/20 | 0.70 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.70 |
| ▸ | PLK4 | O00444 | 1/20 | 0.70 |
| ▸ | ACOX3 | O15254 | 1/20 | 0.70 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.70 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.70 |
| ▸ | JAK2 | O60674 | 1/20 | 0.70 |
| ▸ | ERN1 | O75460 | 1/20 | 0.70 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.70 |
| ▸ | STK10 | O94804 | 1/20 | 0.70 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.70 |
| ▸ | RAF1 | P04049 | 1/20 | 0.70 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.70 |
| ▸ | LCK | P06239 | 1/20 | 0.70 |
| ▸ | FYN | P06241 | 1/20 | 0.70 |
| ▸ | CDK1 | P06493 | 1/20 | 0.70 |
| ▸ | FES | P07332 | 1/20 | 0.70 |
| ▸ | CSF1R | P07333 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL1129228 | 0.92 | BRAF (0.67) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL398737 | 0.92 | BRAF (0.74) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL29849902 | 0.92 | BRAF (0.74) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL401917 | 0.91 | BRAF (0.66) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL1128815 | 0.89 | BRAF (0.69) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL2242285 | 0.89 | ABL1 (0.79) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL31265677 | 0.89 | ABL1 (0.79) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL400982 | 0.89 | BRAF (0.70) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL3945328 | 0.89 | BRAF (0.70) | BRAFMAPK14ABL1RIPK1PLK4 | |
| SCHEMBL2243075 | 0.89 | MAPK14 (0.79) | BRAFMAPK14ABL1RIPK1PLK4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2111401-B1 | 4-{4-[({3-TERT-BUTYL-1-[3-(HYDROXYMETHYL) PHENYL]-1H-PYRAZOL-5-YL } CARBAMOYL)-AMINO]-3-FLUOROPHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE AS WELL AS PRODRUGS AND SALTS THEREOF FOR THE TREATMENT OF CANCER | BAYER HEALTHCARE LLC (US) | 2011-02-16 | — | — | EP | claimed |