Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 9/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 9/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12655324 | 0.82 | CYP2C9 (0.58) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL1094221 | 0.79 | CYP2C9 (0.66) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL1941592 | 0.79 | BTK (0.69) | — | |
| SCHEMBL287955 | 0.77 | CYP2C9 (0.66) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL1093341 | 0.77 | CYP2C9 (0.68) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL298822 | 0.77 | CYP2C9 (0.75) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL292670 | 0.76 | CYP2C9 (1.00) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL1817466 | 0.76 | CYP2C19 (0.79) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL288245 | 0.75 | CYP2C9 (0.63) | CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL1940319 | 0.74 | BTK (0.59) | CYP2C9CYP2C19CYP3A4 |
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 |