SCHEMBL2256136

SCHEMBL2256136

NC(=O)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.72
GSTO1 P78417 1/20 0.67
CCNE1 P24864 1/20 0.65
CDK2 P24941 1/20 0.65
CDK5 Q00535 1/20 0.65
SCD O00767 1/20 0.65
ACP1 P24666 1/20 0.62
CNR1 P21554 1/20 0.60
MKNK1 Q9BUB5 1/20 0.56
FFAR2 O15552 1/20 0.53
IKBKB O14920 2/20 0.51
UCHL1 P09936 1/20 0.51
NAMPT P43490 1/20 0.50
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
USP30 Q70CQ3 1/20 0.49
WNT3A P56704 1/20 0.49

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
SCHEMBL10252594 0.84 KDR (1.00) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL5840422 0.84 KDR (0.72) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL6281775 0.81 CNR1 (0.82) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL69753 0.81 CCNE1 (0.74) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL17014785 0.81 KDR (0.68) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL27692131 0.81 CSNK2A2 (0.67) KDRIKBKB
SCHEMBL27224641 0.80 GSTO1 (1.00) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL25682655 0.80 KDR (0.67) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL16562035 0.79 SCD (1.00) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL19974173 0.79 GSTO1 (0.72) KDRGSTO1CCNE1CDK2CDK5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998990-B2 5-phenyl-thiazol-2-yl-urea derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2011-08-16 US disclosed
CN-101448801-B 5-Phenyl-thiazol-2-yl-urea derivatives and their use as PI3 kinase inhibitors NOVARTIS AG 2011-06-15 CN disclosed
CN-101448801-B 5-Phenyl-thiazol-2-yl-urea derivatives and their use as PI3 kinase inhibitors NOVARTIS AG 2011-06-15 CN disclosed
CN-101448801-A 5-Phenyl-thiazol-2-yl-urea derivatives and their use as PI3 kinase inhibitors NOVARTIS AG (CH) 2009-06-03 CN disclosed
CN-101448801-A 5-Phenyl-thiazol-2-yl-urea derivatives and their use as PI3 kinase inhibitors NOVARTIS AG (CH) 2009-06-03 CN disclosed