SCHEMBL16162153

SCHEMBL16162153

O=C(Nc1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)Oc1cnc2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.44
CYP2C9 P11712 4/20 0.43
CYP2D6 P10635 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.42
CDK8 P49336 2/20 0.42
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL16161968 0.93 BRAF (0.43) BRAFMAP3K20
SCHEMBL16162093 0.88 BRAF (0.45) BRAFCYP2C9MAP3K20CYP2C19
SCHEMBL16162147 0.88 BRAF (0.41) BRAFMAP3K20
SCHEMBL16161908 0.87 BRAF (0.45) BRAFCYP2C9CYP2D6CYP2C19CYP3A4
SCHEMBL16162114 0.86 BRAF (0.47) BRAFCYP2C9MAP3K20CYP2C19CYP3A4
SCHEMBL16162115 0.86 MAP3K20 (0.50) BRAFCYP2C9MAP3K20CYP3A4
SCHEMBL298337 0.85 BRAF (0.48) BRAFCYP2C9CYP2D6MAP3K20CYP2C19
SCHEMBL16162154 0.85 MAP3K20 (0.43) BRAFCYP2C9MAP3K20CYP3A4
SCHEMBL16162149 0.84 MAP3K20 (0.44) BRAFCYP2D6MAP3K20CDK8
SCHEMBL16162126 0.84 BRAF (0.44) BRAFCYP2C9MAP3K20

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-2170830-B1 2-FLUORO-BENZENESULFONAMIDE COMPOUNDS AS Raf KINASE MODULATORS PLEXXIKON INC (US) 2014-10-15 EP claimed