SCHEMBL5836992

SCHEMBL5836992

CC(C)c1cnc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.59
CDK2 P24941 6/20 0.59
CDK5 Q00535 6/20 0.59
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
MPL P40238 2/20 0.52
SCD O00767 2/20 0.50
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
TAS1R2 Q8TE23 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CCNT1 O60563 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45

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
SCHEMBL5835435 0.91 CDK2 (0.59) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5837029 0.87 CDK2 (0.66) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5836039 0.82 CDK2 (0.63) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5836744 0.81 CCNE1 (0.67) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5835551 0.80 CDK2 (0.75) CCNE1CDK2CDK5SCDSMN1; SMN2
SCHEMBL5835451 0.80 CCNE1 (0.57) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836658 0.80 CDK2 (0.62) CCNE1CDK2CDK5SCDSTIM1
SCHEMBL5836697 0.80 CCNE1 (0.59) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5835396 0.79 CCNE1 (0.72) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5835474 0.79 CDK2 (0.61) CCNE1CDK2CDK5SCDSMN1; SMN2

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