SCHEMBL5835387

SCHEMBL5835387

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.74
CDK2 P24941 9/20 0.74
CDK5 Q00535 9/20 0.74
DYRK2 Q92630 1/20 0.58
GLS O94925 1/20 0.55
PRKACA P17612 1/20 0.52
ROCK1 Q13464 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MAPK10 P53779 1/20 0.50
LMNA P02545 1/20 0.49
FBP1 P09467 1/20 0.49
CDK5R1 Q15078 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CCNT1 O60563 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK7 P50613 1/20 0.49

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
SCHEMBL5835795 0.86 CCNE1 (0.72) CCNE1CDK2CDK5GLSSMN1; SMN2
SCHEMBL5835922 0.85 CCNE1 (1.00) CCNE1CDK2CDK5GLSSMN1; SMN2
SCHEMBL5836854 0.84 CCNE1 (0.77) CCNE1CDK2CDK5GLSROCK1
SCHEMBL12272298 0.84 CCNE1 (0.62) CCNE1CDK2CDK5DYRK2GLS
SCHEMBL5836578 0.83 CCNE1 (0.67) CCNE1CDK2CDK5SMN1; SMN2MAPK10
SCHEMBL5835614 0.83 CCNE1 (0.67) CCNE1CDK2CDK5GLSPRKACA
SCHEMBL5836011 0.81 CCNE1 (0.76) CCNE1CDK2CDK5DYRK2GLS
SCHEMBL27578137 0.81 CCNE1 (0.76) CCNE1CDK2CDK5GLSSMN1; SMN2
SCHEMBL5835882 0.77 CCNE1 (0.59) CCNE1CDK2CDK5GLSSMN1; SMN2
SCHEMBL6285669 0.76 DYRK1A (0.56) CCNE1CDK2CDK5SMN1; SMN2LMNA

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