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SCHEMBL18660539

SCHEMBL18660539

C[C@@H](Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c12)C1CC1.C[C@H](Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c12)C1CC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 9/20 0.84
▸ CYP1A2 P05177 1/20 0.72
▸ CYP3A4 P08684 9/20 0.65
▸ CYP2C19 P33261 9/20 0.61

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1982122 1.00 CYP2C9 (0.84) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL12561613 1.00 CYP2C9 (0.84) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1816910 0.91 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1816655 0.88 CYP1A2 (0.78) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1816983 0.87 CYP2C9 (0.82) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1815615 0.86 CYP2C9 (0.89) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1819884 0.85 CYP3A4 (0.73) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1817961 0.85 CYP2C9 (0.79) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL1815098 0.85 CYP2C9 (0.79) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL16272814 0.85 CYP2C19 (0.61) CYP2C9CYP1A2CYP3A4CYP2C19

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed