SCHEMBL5836697

SCHEMBL5836697

COc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.59
CDK2 P24941 5/20 0.59
CDK5 Q00535 5/20 0.59
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
SCD O00767 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5835381 0.90 CDK2 (0.63) CCNE1CDK2CDK5SCDSMN1; SMN2
SCHEMBL5837029 0.87 CDK2 (0.66) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5835455 0.86 CCNE1 (0.59) CCNE1CDK2CDK5SCDSMN1; SMN2
SCHEMBL5835741 0.85 CCNE1 (0.60) CCNE1CDK2CDK5SCDSMN1; SMN2
SCHEMBL5836039 0.85 CDK2 (0.63) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5836365 0.84 CDK2 (0.56) CCNE1CDK2CDK5SCDSMN1; SMN2
SCHEMBL5835140 0.83 MAPT (0.59) CCNE1CDK2CDK5MAPTMEN1
SCHEMBL5835435 0.82 CDK2 (0.59) CCNE1CDK2CDK5KCNQ3KCNQ2
SCHEMBL5836147 0.81 CCNE1 (0.61) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL5835991 0.81 CCNE1 (0.71) CCNE1CDK2CDK5SCDSMN1; SMN2

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