SCHEMBL1875592

SCHEMBL1875592

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.50
NR1I2 O75469 2/20 0.50
ABL1 P00519 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
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
MET P08581 1/20 0.46
HCK P08631 1/20 0.46
FGR P09769 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
SCHEMBL12669094 0.90 BRAF (0.48) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL12669795 0.90 BRAF (0.57) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL30378677 0.87 BRAF (0.64) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL26090041 0.87 BRAF (0.64) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL12668202 0.86 BRAF (0.60) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL1127797 0.84 BRAF (0.69) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL2193766 0.84 BRAF (0.64) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL1127187 0.82 BRAF (0.56) BRAFNR1I2ABL1PLK4EPHB6
SCHEMBL1888596 0.81 BRAF (0.45) BRAFRIPK2
SCHEMBL3885200 0.81 BRAF (0.47) BRAFNR1I2ABL1PLK4EPHB6

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