SCHEMBL1875103

SCHEMBL1875103

CCC(c1ccc(F)c(-c2nc(N3CCOCC3)sc2-c2ccnc(N)n2)c1F)S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.39
BRAF P15056 10/20 0.37
NR1I2 O75469 5/20 0.37
KCNH2 Q12809 1/20 0.37
EGFR P00533 5/20 0.37
CDK1 P06493 2/20 0.35
CDK2 P24941 2/20 0.35
LCK P06239 2/20 0.34
LYN P07948 2/20 0.34
TGFBR1 P36897 2/20 0.34
PLK4 O00444 1/20 0.34
EPHB6 O15197 1/20 0.34
JAK2 O60674 1/20 0.34
ULK1 O75385 1/20 0.34
ERN1 O75460 1/20 0.34
PRKD3 O94806 1/20 0.34
ABL1 P00519 1/20 0.34
KRAS P01116 1/20 0.34
RAF1 P04049 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL1871665 0.92 RIPK2 (0.38) RIPK2BRAFNR1I2KCNH2EGFR
SCHEMBL1875729 0.88 BRAF (0.42) RIPK2BRAFNR1I2KCNH2EGFR
SCHEMBL12669258 0.81 BRAF (0.46) RIPK2BRAFNR1I2EGFR
SCHEMBL1872504 0.79 BRAF (0.42) RIPK2BRAFNR1I2KCNH2EGFR
SCHEMBL1869958 0.79 BRAF (0.41) RIPK2BRAFNR1I2KCNH2EGFR
SCHEMBL2196148 0.77 BRAF (0.53) RIPK2BRAFNR1I2CDK1CDK2
SCHEMBL1870073 0.76 BRAF (0.47) RIPK2BRAFKCNH2EGFRCDK1
SCHEMBL2192664 0.75 BRAF (0.56) RIPK2BRAFNR1I2KCNH2CDK1
SCHEMBL1874683 0.74 RIPK2 (0.38) RIPK2BRAFKCNH2EGFR
SCHEMBL1874594 0.74 BRAF (0.43) RIPK2BRAFKCNH2EGFRLCK

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