SCHEMBL5836039

SCHEMBL5836039

Cc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.63
CCNE1 P24864 6/20 0.63
CDK5 Q00535 6/20 0.63
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
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SCD O00767 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CCNT1 O60563 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK7 P50613 1/20 0.47

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
SCHEMBL5837029 0.90 CDK2 (0.66) CDK2CCNE1CDK5KCNQ3KCNQ2
SCHEMBL5835870 0.89 CDK2 (0.67) CDK2CCNE1CDK5KCNQ3KCNQ2
SCHEMBL5836697 0.85 CCNE1 (0.59) CDK2CCNE1CDK5KCNQ3KCNQ2
SCHEMBL5835435 0.85 CDK2 (0.59) CDK2CCNE1CDK5KCNQ3KCNQ2
SCHEMBL5835741 0.83 CCNE1 (0.60) CDK2CCNE1CDK5SCDSMN1; SMN2
SCHEMBL5835551 0.83 CDK2 (0.75) CDK2CCNE1CDK5SCDSMN1; SMN2
SCHEMBL5836992 0.82 CCNE1 (0.59) CDK2CCNE1CDK5KCNQ3KCNQ2
SCHEMBL5835261 0.82 CDK2 (0.77) CDK2CCNE1CDK5SCDSMN1; SMN2
SCHEMBL5835396 0.81 CCNE1 (0.72) CDK2CCNE1CDK5KCNQ3KCNQ2
SCHEMBL5836294 0.81 MEN1 (0.59) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1

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