SCHEMBL1875729

SCHEMBL1875729

CCC(c1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(N)n2)c1F)S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.42
NR1I2 O75469 7/20 0.42
RIPK2 O43353 2/20 0.42
CDK1 P06493 2/20 0.42
CDK2 P24941 2/20 0.42
PLK4 O00444 1/20 0.42
EPHB6 O15197 1/20 0.42
JAK2 O60674 1/20 0.42
ULK1 O75385 1/20 0.42
ERN1 O75460 1/20 0.42
PRKD3 O94806 1/20 0.42
ABL1 P00519 1/20 0.42
KRAS P01116 1/20 0.42
RAF1 P04049 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
HCK P08631 1/20 0.42

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
SCHEMBL1872504 0.92 BRAF (0.42) BRAFNR1I2RIPK2CDK1CDK2
SCHEMBL1869958 0.91 BRAF (0.41) BRAFNR1I2RIPK2CDK1CDK2
SCHEMBL1870073 0.88 BRAF (0.47) BRAFRIPK2CDK1CDK2LCK
SCHEMBL1875103 0.88 RIPK2 (0.39) BRAFNR1I2RIPK2CDK1CDK2
SCHEMBL1874594 0.85 BRAF (0.43) BRAFRIPK2LCKLYNTGFBR1
SCHEMBL1874683 0.83 RIPK2 (0.38) BRAFRIPK2KCNH2EGFRAR
SCHEMBL1870842 0.83 EGFR (0.37) BRAFNR1I2RIPK2CDK1CDK2
SCHEMBL1871101 0.82 BRAF (0.40) BRAFNR1I2RIPK2CDK1CDK2
SCHEMBL12669811 0.82 BRAF (0.51) BRAFNR1I2RIPK2CDK1CDK2
SCHEMBL12230893 0.81 PTPN11 (0.38) BRAFNR1I2RIPK2CDK1CDK2

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