SCHEMBL1888596

SCHEMBL1888596

CCCS(=O)(=O)Nc1ccc(F)c(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.45
EGFR P00533 6/20 0.42
RIPK2 O43353 1/20 0.41
KCNH2 Q12809 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
SCHEMBL12669797 0.92 BRAF (0.46) BRAFEGFRRIPK2KCNH2
SCHEMBL12669258 0.91 BRAF (0.46) BRAFEGFRRIPK2
SCHEMBL12669096 0.88 BRAF (0.51) BRAFEGFRRIPK2
SCHEMBL12237762 0.88 BRAF (0.46) BRAFEGFRRIPK2KCNH2
SCHEMBL12668201 0.87 BRAF (0.54) BRAFEGFRRIPK2KCNH2
SCHEMBL2193545 0.85 RIPK2 (0.53) BRAFRIPK2KCNH2
SCHEMBL2190892 0.85 BRAF (0.51) BRAFRIPK2KCNH2
SCHEMBL1868804 0.83 RIPK2 (0.41) BRAFEGFRRIPK2KCNH2
SCHEMBL3887751 0.82 KCNH2 (0.42) EGFRRIPK2KCNH2
SCHEMBL1875592 0.81 BRAF (0.50) BRAFRIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed