SCHEMBL5834980

SCHEMBL5834980

NCCC(=O)Nc1ncc(Br)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
MAPK10 P53779 1/20 0.68
CCNE1 P24864 2/20 0.62
CDK2 P24941 2/20 0.62
CDK5 Q00535 1/20 0.62
SETD1B Q9UPS6 1/20 0.50
LMNA P02545 2/20 0.48
CCNE2 O96020 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
FPR2 P25090 4/20 0.46
FPR3 P25089 3/20 0.46
HDAC1 Q13547 1/20 0.45
FBP1 P09467 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
MEN1 O00255 1/20 0.45

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
Hydrochloric Acid SCHEMBL5836819 0.98 SMN1; SMN2 (0.67) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835424 0.91 SMN1; SMN2 (0.74) SMN1; SMN2MAPK10CCNE1CDK2CDK5
Bromide SCHEMBL5836898 0.89 MAPK10 (0.72) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835100 0.85 SMN1; SMN2 (0.70) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835735 0.84 SMN1; SMN2 (0.83) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5835044 0.83 SMN1; SMN2 (0.76) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL5836346 0.81 SMN1; SMN2 (0.65) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL16529050 0.81 SMN1; SMN2 (0.74) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL17353987 0.80 SMN1; SMN2 (0.72) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL28748042 0.78 MAPK10 (0.68) SMN1; SMN2MAPK10CCNE1CDK2CDK5

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