Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 8/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.57 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18680785 | 0.89 | CYP2C9 (0.72) | CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL18680790 | 0.88 | CYP3A4 (0.63) | CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL18680818 | 0.87 | CYP2C9 (0.73) | CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL18680762 | 0.87 | CYP2C19 (0.73) | CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL18680821 | 0.87 | CYP2C19 (0.53) | CYP2C19CYP2C9CYP3A4BRAF | |
| SCHEMBL18680933 | 0.85 | CYP2C9 (0.74) | CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL18680636 | 0.84 | CYP3A4 (0.56) | CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL1086108 | 0.84 | CYP2C19 (0.81) | CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL18680924 | 0.83 | CYP2C9 (0.51) | CYP2C19CYP2C9CYP3A4BRAF | |
| SCHEMBL18680931 | 0.79 | CYP2C9 (0.70) | CYP2C19CYP2C9CYP3A4 |
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-2501236-B1 | N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer | PLEXXIKON INC (US) | 2017-03-29 | — | — | EP | disclosed |