SCHEMBL5836073

SCHEMBL5836073

CCOc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.68
CDK2 P24941 6/20 0.68
CDK5 Q00535 6/20 0.68
RAB9A P51151 4/20 0.55
NPC1 O15118 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 3/20 0.52
HSP90AA1 P07900 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NTSR1 P30989 1/20 0.52
HPGD P15428 1/20 0.51
CCNT1 O60563 1/20 0.51
CDK1 P06493 1/20 0.51

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
SCHEMBL5836176 0.90 CCNE1 (0.65) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835807 0.90 CCNE1 (0.65) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835991 0.87 CCNE1 (0.71) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835583 0.86 CCNE1 (0.70) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835407 0.85 CCNE1 (0.72) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835683 0.84 ALDH1A1 (0.69) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5836464 0.84 CCNE1 (0.79) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835793 0.84 CDK2 (0.67) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835456 0.83 CDK2 (0.73) CCNE1CDK2CDK5RAB9ANPC1
SCHEMBL5835902 0.83 HPGD (0.62) CCNE1CDK2CDK5RAB9ANPC1

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