SCHEMBL16162149

SCHEMBL16162149

O=C(Nc1c(F)ccc(NS(=O)(=O)c2c(F)cccc2F)c1F)Oc1cnc2[nH]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 1/20 0.44
BRAF P15056 16/20 0.44
CYP2D6 P10635 1/20 0.43
CDK8 P49336 1/20 0.39
BTK Q06187 1/20 0.39
ITK Q08881 1/20 0.39

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
SCHEMBL16162126 0.90 BRAF (0.44) MAP3K20BRAF
SCHEMBL16162115 0.89 MAP3K20 (0.50) MAP3K20BRAF
SCHEMBL16162139 0.87 BRAF (0.46) MAP3K20BRAF
SCHEMBL16162118 0.87 CYP2C9 (0.46) BRAF
SCHEMBL16162146 0.86 BRAF (0.45) MAP3K20BRAF
SCHEMBL16162087 0.86 MAP3K20 (0.47) MAP3K20BRAFCDK8
SCHEMBL16162151 0.86 CYP2D6 (0.43) BRAFCYP2D6
SCHEMBL16162082 0.85 BRAF (0.62) MAP3K20BRAF
SCHEMBL16162153 0.84 BRAF (0.44) MAP3K20BRAFCYP2D6CDK8
SCHEMBL298785 0.84 BRAF (0.48) MAP3K20BRAFCYP2D6

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