SCHEMBL5836795

SCHEMBL5836795

CC(C)c1cnc(NC(=O)c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.57
CDK2 P24941 5/20 0.57
CDK5 Q00535 5/20 0.57
ENPP1 P22413 6/20 0.56
ENPP3 O14638 5/20 0.56
ENPP2 Q13822 3/20 0.56
STAT3 P40763 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
P2RY2 P41231 1/20 0.43
GPR17 Q13304 1/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43

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
SCHEMBL5835708 0.86 CDK2 (0.75) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5836145 0.80 CDK2 (0.70) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5836066 0.79 CDK2 (0.68) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835991 0.79 CCNE1 (0.71) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835583 0.78 CCNE1 (0.70) CCNE1CDK2CDK5MAPTCSNK2A2
SCHEMBL5836120 0.77 CDK2 (0.77) CCNE1CDK2CDK5STAT3MEN1
SCHEMBL5836073 0.77 CCNE1 (0.68) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5836464 0.76 CCNE1 (0.79) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835793 0.76 CDK2 (0.67) CCNE1CDK2CDK5MEN1KMT2A
SCHEMBL5835456 0.75 CDK2 (0.73) CCNE1CDK2CDK5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US claimed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP claimed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP disclosed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP disclosed