SCHEMBL1869006

SCHEMBL1869006

CC(C)(C)c1nc(-c2cccc(N)c2Cl)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.46
NR1I2 O75469 2/20 0.46
CDK4 P11802 2/20 0.46
CDK2 P24941 2/20 0.46
TGFBR1 P36897 2/20 0.46
PLK4 O00444 1/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
JAK2 O60674 1/20 0.46
ULK1 O75385 1/20 0.46
ERN1 O75460 1/20 0.46
PRKD3 O94806 1/20 0.46
ABL1 P00519 1/20 0.46
KRAS P01116 1/20 0.46
RAF1 P04049 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CDK1 P06493 1/20 0.46
YES1 P07947 1/20 0.46
LYN P07948 1/20 0.46

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
SCHEMBL31112031 0.89 BRAF (0.54) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL1127106 0.89 BRAF (0.54) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL12230896 0.80 BRAF (0.46) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL12072678 0.80 BRAF (0.54) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL31443345 0.80 BRAF (0.49) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL31443320 0.78 BRAF (0.42) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL1872470 0.78 BRAF (0.44) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL1127574 0.78 BRAF (0.52) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL31443312 0.78 BRAF (0.41) BRAFNR1I2CDK4CDK2TGFBR1
SCHEMBL1127216 0.77 BRAF (0.66) BRAFNR1I2CDK4CDK2TGFBR1

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 3 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
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed