SCHEMBL5835868

SCHEMBL5835868

COc1ccc(Cl)cc1C(=O)Nc1ncc(C(C)C)s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.61
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 1/20 0.57
CCNE1 P24864 2/20 0.53
CDK2 P24941 2/20 0.53
CDK5 Q00535 2/20 0.53
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL5835944 0.86 CDK2 (0.57) KCNMA1ALDH1A1CCNE1CDK2CDK5
SCHEMBL345091 0.86 KCNMA1 (0.67) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24460244 0.85 KCNMA1 (0.57) KCNMA1ALDH1A1CCNE1CDK2CDK5
SCHEMBL345233 0.85 KCNMA1 (0.65) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30771747 0.85 KCNMA1 (0.57) KCNMA1ALDH1A1CCNE1CDK2CDK5
SCHEMBL343717 0.84 KCNMA1 (0.64) KCNMA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5835711 0.84 CDK2 (0.55) ALDH1A1CCNE1CDK2CDK5GAA
SCHEMBL5835976 0.83 CCNE1 (0.64) ALDH1A1KDM4EHPGDCCNE1CDK2
SCHEMBL5835649 0.83 CCNE1 (0.57) ALDH1A1HPGDCCNE1CDK2CDK5
SCHEMBL6287790 0.83 KMT2A (0.56) ALDH1A1KDM4ECCNE1CDK2CDK5

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