SCHEMBL5835795

SCHEMBL5835795

O=C(Cc1cccc(Cl)c1)Nc1ncc(Br)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.72
CDK2 P24941 4/20 0.72
CDK5 Q00535 4/20 0.72
CSNK1D P48730 8/20 0.59
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
FBP1 P09467 1/20 0.57
LMNA P02545 1/20 0.54
GLS O94925 1/20 0.53
MAPK8 P45983 1/20 0.52
MAPT P10636 1/20 0.51
MAPK10 P53779 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
DYRK3 O43781 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
LCK P06239 1/20 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
SCHEMBL5835387 0.86 CCNE1 (0.74) CCNE1CDK2CDK5MEN1ALDH1A1
SCHEMBL5835922 0.84 CCNE1 (1.00) CCNE1CDK2CDK5CSNK1DMEN1
SCHEMBL5835614 0.82 CCNE1 (0.67) CCNE1CDK2CDK5CSNK1DALDH1A1
SCHEMBL5835575 0.82 CCNE1 (0.74) CCNE1CDK2CDK5CSNK1DALDH1A1
SCHEMBL2753861 0.80 LMNA (0.73) CCNE1CDK2CDK5CSNK1DMEN1
SCHEMBL5836578 0.80 CCNE1 (0.67) CCNE1CDK2CDK5MEN1ALDH1A1
SCHEMBL27578137 0.80 CCNE1 (0.76) CCNE1CDK2CDK5ALDH1A1LMNA
SCHEMBL5836854 0.78 CCNE1 (0.77) CCNE1CDK2CDK5MEN1ALDH1A1
SCHEMBL6287753 0.77 FBP1 (0.65) MEN1ALDH1A1KMT2AFBP1LMNA
SCHEMBL5836346 0.75 SMN1; SMN2 (0.65) CCNE1CDK2CDK5MEN1ALDH1A1

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