Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.53 |
| ▸ | RAF1 | P04049 | 2/20 | 0.53 |
| ▸ | RET | P07949 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 3/20 | 0.44 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.44 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | LYN | P07948 | 1/20 | 0.44 |
| ▸ | ROS1 | P08922 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3545759 | 0.88 | RAF1 (0.69) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL3541035 | 0.85 | BRAF (0.54) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL3547384 | 0.84 | BRAF (0.52) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL3545439 | 0.82 | BRAF (0.51) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL5128867 | 0.82 | CDK8 (0.45) | KDRMAPK14CDK8POLBMEN1 | |
| SCHEMBL3545141 | 0.80 | RAF1 (0.68) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL13547682 | 0.80 | RAF1 (0.76) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL3542287 | 0.79 | BRAF (0.50) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL3545280 | 0.78 | BRAF (0.54) | BRAFRAF1RETKDRAURKA | |
| SCHEMBL3550280 | 0.78 | GAA (0.55) | BRAFRAF1LMNAPOLBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7652041-B2 | 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-01-26 | — | — | US | claimed |