SCHEMBL5835853

SCHEMBL5835853

Cc1ccc(C(=O)Nc2ncc(C(C)C)s2)c(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.56
CCNE1 P24864 6/20 0.56
CDK5 Q00535 6/20 0.56
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CCNT1 O60563 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
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK5R1 Q15078 1/20 0.47
FDPS P14324 1/20 0.44
EGFR P00533 4/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL5836133 0.89 CDK2 (0.57) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836190 0.80 CDK2 (0.52) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835649 0.79 CCNE1 (0.57) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835388 0.79 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835711 0.77 CDK2 (0.55) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836180 0.77 CDK2 (0.69) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835944 0.77 CDK2 (0.57) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836320 0.77 CDK2 (0.61) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL24460244 0.76 KCNMA1 (0.57) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL30771747 0.76 KCNMA1 (0.57) CDK2CCNE1CDK5ALDH1A1SMN1; 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