SCHEMBL5835902

SCHEMBL5835902

CCOc1cc(C(=O)Nc2ncc(C(C)C)s2)cc(OCC)c1OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CCNE1 P24864 3/20 0.62
CDK2 P24941 3/20 0.62
CDK5 Q00535 3/20 0.62
GLA P06280 1/20 0.55
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 3/20 0.51
ALPL P05186 1/20 0.51
HTT P42858 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL5835683 0.87 ALDH1A1 (0.69) HPGDSMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836147 0.83 CCNE1 (0.61) HPGDSMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836073 0.83 CCNE1 (0.68) HPGDSMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5836421 0.79 ALDH1A1 (0.68) HPGDSMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5835992 0.78 CDK2 (0.68) SMN1; SMN2CCNE1CDK2CDK5ALDH1A1
SCHEMBL5835951 0.78 CCNE1 (0.64) SMN1; SMN2CCNE1CDK2CDK5ALDH1A1
SCHEMBL5835446 0.77 CDK2 (0.67) SMN1; SMN2CCNE1CDK2CDK5ALDH1A1
SCHEMBL5835385 0.77 CDK2 (0.67) SMN1; SMN2CCNE1CDK2CDK5ALDH1A1
SCHEMBL5835381 0.77 CDK2 (0.63) SMN1; SMN2CCNE1CDK2CDK5ALDH1A1
SCHEMBL5836102 0.77 CDK2 (1.00) HPGDSMN1; SMN2CCNE1CDK2CDK5

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