SCHEMBL1127227

SCHEMBL1127227

CC(C)COC(=O)N1CCC(C)(c2nc(-c3cccc(N)c3F)c(-c3ccnc(Cl)n3)s2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.35
SLC6A15 Q9H2J7 1/20 0.35
HDAC2 Q92769 1/20 0.32
NR1I2 O75469 3/20 0.32
BRAF P15056 5/20 0.31
JAK2 O60674 2/20 0.31
OPRD1 P41143 2/20 0.31
MAPK14 Q16539 1/20 0.31
PLK4 O00444 1/20 0.31
EPHB6 O15197 1/20 0.31
RIPK2 O43353 1/20 0.31
ULK1 O75385 1/20 0.31
ERN1 O75460 1/20 0.31
PRKD3 O94806 1/20 0.31
ABL1 P00519 1/20 0.31
KRAS P01116 1/20 0.31
RAF1 P04049 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL1127226 0.87 SMARCA2 (0.37) HDAC2NR1I2BRAFJAK2OPRD1
SCHEMBL1870443 0.85 BRAF (0.44) HDAC2NR1I2BRAFJAK2PLK4
SCHEMBL1127105 0.85 BRAF (0.48) HDAC2NR1I2BRAFJAK2PLK4
SCHEMBL1127352 0.85 NR1I2 (0.33) HRH1SLC6A15HDAC2NR1I2BRAF
SCHEMBL1127223 0.85 NR1I2 (0.43) HRH1SLC6A15NR1I2BRAFMAPK14
SCHEMBL1127270 0.83 BRAF (0.38) HDAC2NR1I2BRAFJAK2PLK4
SCHEMBL1873587 0.80 BRAF (0.45) NR1I2BRAFJAK2PLK4EPHB6
SCHEMBL1127563 0.80 BRAF (0.58) HDAC2NR1I2BRAFJAK2PLK4
SCHEMBL12669048 0.79 BRAF (0.35) NR1I2BRAFJAK2PLK4EPHB6
SCHEMBL1127193 0.78 BRAF (0.46) HDAC2NR1I2BRAFJAK2PLK4

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 4 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
EP-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed