SCHEMBL5836282

SCHEMBL5836282

COc1cccc(C(=O)Nc2ncc(C(C)C)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.69
CDK2 P24941 3/20 0.69
CDK5 Q00535 3/20 0.69
NPC1 O15118 8/20 0.66
RAB9A P51151 8/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
ALDH1A1 P00352 4/20 0.66
G6PD P11413 1/20 0.66
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SCD O00767 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TP53 P04637 2/20 0.57
DHODH Q02127 1/20 0.57
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 2/20 0.55
RXFP1 Q9HBX9 2/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
CSNK2A2 P19784 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
SCHEMBL5836788 0.88 CCNE1 (0.73) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835951 0.88 CCNE1 (0.64) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL4756132 0.86 CCNE1 (0.63) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835991 0.85 CCNE1 (0.71) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835970 0.84 CCNE1 (0.74) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835431 0.83 CCNE1 (0.72) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5835428 0.83 CDK2 (0.72) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5836056 0.83 CCNE1 (0.72) CCNE1CDK2CDK5NPC1SMN1; SMN2
SCHEMBL5835396 0.83 CCNE1 (0.72) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL5837262 0.82 CCNE1 (0.67) CCNE1CDK2CDK5SMN1; 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