Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 9/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.57 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.48 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18680818 | 0.91 | CYP2C9 (0.73) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL18680785 | 0.86 | CYP2C9 (0.72) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL1820126 | 0.85 | CYP2C9 (1.00) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL18680809 | 0.85 | CYP2C19 (0.59) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL18680762 | 0.83 | CYP2C19 (0.73) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL18680821 | 0.81 | CYP2C19 (0.53) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL18680664 | 0.80 | CYP2C9 (0.72) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL18680820 | 0.79 | CYP2C9 (0.59) | CYP2C9CYP3A4CYP2C19MAP3K7TAB1 | |
| SCHEMBL18680936 | 0.78 | CYP3A4 (0.73) | CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL18680924 | 0.78 | CYP2C9 (0.51) | CYP2C9CYP3A4CYP2C19 |
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 |