SCHEMBL5836744

SCHEMBL5836744

CC(C)c1cnc(NC(=O)c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.67
CDK2 P24941 3/20 0.67
CDK5 Q00535 3/20 0.67
SCD O00767 4/20 0.55
NPSR1 Q6W5P4 2/20 0.54
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
KCNQ5 Q9NR82 1/20 0.54
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CSF1R P07333 1/20 0.52
MAPT P10636 1/20 0.52
PTGS1 P23219 1/20 0.52
AURKA O14965 1/20 0.52
P2RX1 P51575 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL5836658 0.88 CDK2 (0.62) CCNE1CDK2CDK5SCD
SCHEMBL5835396 0.84 CCNE1 (0.72) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL17732531 0.84 SCD (0.58) SCDNPSR1KCNQ3KCNQ2KCNE1
SCHEMBL5837217 0.84 CDK2 (0.57) CCNE1CDK2CDK5SCDCSF1R
SCHEMBL6248559 0.83 KDR (0.71) CCNE1CDK2CDK5SCDNPSR1
SCHEMBL5835790 0.83 CDK2 (0.63) CCNE1CDK2CDK5SCDNPSR1
SCHEMBL5835970 0.83 CCNE1 (0.74) CCNE1CDK2CDK5SCDNPSR1
SCHEMBL5835428 0.82 CDK2 (0.72) CCNE1CDK2CDK5SCDNPSR1
SCHEMBL5835431 0.82 CCNE1 (0.72) CCNE1CDK2CDK5SCDMAPT
SCHEMBL5836056 0.82 CCNE1 (0.72) CCNE1CDK2CDK5KCNQ3KCNQ2

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