SCHEMBL5481851

SCHEMBL5481851

CN(C)c1ccc(CC(=O)Nc2ncc(Cc3ccccc3)s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.67
CDK2 P24941 10/20 0.67
CDK5 Q00535 10/20 0.67
GLS O94925 4/20 0.60
LMNA P02545 3/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 2/20 0.57
RAB9A P51151 2/20 0.57
SIRT2 Q8IXJ6 2/20 0.56
CDK5R1 Q15078 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CCNT1 O60563 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56

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
SCHEMBL3131310 0.89 CCNE1 (0.78) CCNE1CDK2CDK5LMNANPC1
SCHEMBL5480770 0.83 CCNE1 (0.55) CCNE1CDK2CDK5GLSLMNA
SCHEMBL5836526 0.80 CCNE1 (0.64) CCNE1CDK2CDK5GLSLMNA
SCHEMBL5487337 0.80 CCNE1 (0.58) CCNE1CDK2CDK5GLSLMNA
SCHEMBL6706074 0.79 CCNE1 (1.00) CCNE1CDK2CDK5GLSCDK5R1
SCHEMBL5835965 0.78 LMNA (0.65) CCNE1CDK2CDK5LMNANPC1
SCHEMBL2753861 0.78 LMNA (0.73) CCNE1CDK2CDK5GLSLMNA
SCHEMBL5477005 0.78 CCNE1 (0.73) CCNE1CDK2CDK5GLSLMNA
SCHEMBL28155418 0.78 LMNA (0.72) CCNE1CDK2CDK5LMNANPC1
SCHEMBL10009245 0.77 SIRT2 (0.65) CCNE1CDK2CDK5LMNANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 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
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP disclosed
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