SCHEMBL5835381

SCHEMBL5835381

COc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.63
CCNE1 P24864 4/20 0.63
CDK5 Q00535 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 2/20 0.59
MAPK1 P28482 1/20 0.59
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SCD O00767 4/20 0.55
PTGER3 P43115 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDR P35968 1/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 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
SCHEMBL5836365 0.91 CDK2 (0.56) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5835741 0.91 CCNE1 (0.60) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5835455 0.90 CCNE1 (0.59) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5836697 0.90 CCNE1 (0.59) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5836147 0.86 CCNE1 (0.61) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5835683 0.86 ALDH1A1 (0.69) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5835140 0.86 MAPT (0.59) CDK2CCNE1CDK5MAPTALDH1A1
SCHEMBL5835693 0.86 CCNE1 (0.55) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5835991 0.84 CCNE1 (0.71) CDK2CCNE1CDK5SMN1; SMN2RAB9A
SCHEMBL5835456 0.82 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2RAB9A

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