SCHEMBL5835602

SCHEMBL5835602

COc1ccc(CC(=O)Nc2ncc(C(C)C)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.73
ALDH1A1 P00352 4/20 0.73
CCNE1 P24864 3/20 0.73
CDK2 P24941 3/20 0.73
CDK5R1 Q15078 2/20 0.73
CCNT1 O60563 1/20 0.73
CDK1 P06493 1/20 0.73
CDK4 P11802 1/20 0.73
CCNB1 P14635 1/20 0.73
CCNA2 P20248 1/20 0.73
CCND1 P24385 1/20 0.73
CDK7 P50613 1/20 0.73
CDK9 P50750 1/20 0.73
CCNH P51946 1/20 0.73
MNAT1 P51948 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
GLS O94925 3/20 0.56
CSNK1D P48730 2/20 0.55
PKM P14618 2/20 0.54
CA12 O43570 1/20 0.54

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
SCHEMBL5835470 0.88 CCNE1 (0.57) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5835758 0.88 CCNE1 (0.66) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5835984 0.86 ALDH1A1 (0.71) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5835800 0.86 CCNE1 (0.79) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5835412 0.86 CDK2 (0.79) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5835740 0.85 CCNE1 (0.77) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5835737 0.85 CCNE1 (0.77) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5836000 0.85 CCNE1 (0.77) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL27550567 0.85 CDK2 (0.77) CDK5ALDH1A1CCNE1CDK2CDK5R1
SCHEMBL5476983 0.85 CCNE1 (0.77) CDK5ALDH1A1CCNE1CDK2CDK5R1

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