SCHEMBL6455262

SCHEMBL6455262

CN(C)c1cnc(CC=O)s1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
FFAR2 O15552 1/20 0.32

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
SCHEMBL1540138 0.79 CCNE1 (0.32) CCNE1CDK2CDK5FFAR2
SCHEMBL933968 0.75
SCHEMBL1808491 0.74 ERCC5 (0.36)
SCHEMBL24166406 0.71 CCNE1 (0.36) CCNE1CDK2CDK5FFAR2
SCHEMBL6460929 0.71
SCHEMBL6454534 0.71
SCHEMBL17065252 0.68
SCHEMBL16268178 0.68 CCNE1 (0.33) CCNE1CDK2CDK5
SCHEMBL16267820 0.65 CCNE1 (0.40) CCNE1CDK2CDK5
SCHEMBL6348870 0.63

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-1605946-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
WO-2004087699-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-14 WO disclosed