SCHEMBL5836094

SCHEMBL5836094

CC(C)c1cnc(NC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 14/20 0.63
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
CDK5 Q00535 2/20 0.51
YAP1 P46937 1/20 0.50
TEAD4 Q15561 1/20 0.50
TEAD2 Q15562 1/20 0.50

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
SCHEMBL5836241 0.88 LMNA (0.65) RXFP1CCNE1CDK2CDK5TEAD4
SCHEMBL5836744 0.80 CCNE1 (0.67) CCNE1CDK2CDK5
SCHEMBL15528884 0.79 RXFP1 (1.00) RXFP1
SCHEMBL5836799 0.78 CDK2 (0.63) CCNE1CDK2CDK5
SCHEMBL5835764 0.78 CDK2 (0.66) CCNE1CDK2CDK5
SCHEMBL5836220 0.77 CDK2 (0.56) CCNE1CDK2CDK5
SCHEMBL24072507 0.77 CDK2 (0.64) RXFP1CCNE1CDK2CDK5
SCHEMBL30142906 0.77 CDK2 (0.64) RXFP1CCNE1CDK2CDK5
SCHEMBL6284013 0.75 CDK2 (0.76) RXFP1CCNE1CDK2CDK5
SCHEMBL5835818 0.75 CDK2 (0.56) CCNE1CDK2CDK5

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 8 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN 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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed