SCHEMBL5836037

SCHEMBL5836037

CCCC(=O)Nc1ncc(CCCOC)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CDK5 Q00535 2/20 0.54
MAPK10 P53779 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FDPS P14324 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
GLS O94925 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL5835540 0.84 CDK2 (0.50) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835990 0.83 CDK2 (0.49) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835804 0.81 CDK2 (0.52) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835873 0.79 CDK2 (0.50) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835971 0.78 CDK2 (0.49) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835799 0.76 SMN1; SMN2 (0.51) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL15581413 0.76 SMN1; SMN2 (0.51) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835874 0.74 CDK2 (0.46) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835878 0.74 CDK2 (0.46) CCNE1CDK2CDK5MAPK10SMN1; SMN2
SCHEMBL5835886 0.74 CDK2 (0.43) CCNE1CDK2CDK5MAPK10SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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