SCHEMBL5835583

SCHEMBL5835583

CC(C)Oc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.70
CDK2 P24941 6/20 0.70
CDK5 Q00535 6/20 0.70
CSNK2A2 P19784 4/20 0.54
CSNK2A1 P68400 4/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL5835793 0.90 CDK2 (0.67) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5835991 0.88 CCNE1 (0.71) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5836073 0.86 CCNE1 (0.68) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5836464 0.85 CCNE1 (0.79) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5835456 0.84 CDK2 (0.73) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5836176 0.84 CCNE1 (0.65) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5835807 0.84 CCNE1 (0.65) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5835438 0.84 CCNE1 (0.65) CCNE1CDK2CDK5CSNK2A2CSNK2A1
SCHEMBL5835261 0.84 CDK2 (0.77) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL6176147 0.84 CDK2 (0.82) CCNE1CDK2CDK5CSNK2A2CSNK2A1

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