SCHEMBL5202486

SCHEMBL5202486

Cc1cccc(-c2nc3ccccn3c2-c2ccnc([AsH]CCc3ccc(S(N)(=O)=O)cc3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.49
CDK4 P11802 5/20 0.49
TGFBR1 P36897 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CCNE1 P24864 5/20 0.37
HDAC1 Q13547 3/20 0.37
IGF1R P08069 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDR P35968 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
ALK Q9UM73 1/20 0.36
NR1I3 Q14994 1/20 0.35

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
SCHEMBL409778 0.84 CDK2 (0.57) CDK2CDK4CCNE1HDAC1IGF1R
SCHEMBL410999 0.74 CDK2 (0.47) CDK2CDK4KDM4EALDH1A1CCNE1
SCHEMBL412361 0.73 CDK2 (0.71) CDK2CDK4KDM4EALDH1A1CCNE1
SCHEMBL415435 0.73 CDK2 (0.51) CDK2CDK4TGFBR1CCNE1IGF1R
SCHEMBL3360699 0.71 HDAC1 (0.54) CDK2CDK4CCNE1HDAC1CDK19
SCHEMBL409738 0.70 HDAC1 (0.56) CDK2CDK4CCNE1HDAC1
SCHEMBL413663 0.70 ALDH1A1 (0.52) CDK2CDK4KDM4EALDH1A1CCNE1
SCHEMBL413077 0.70 DYRK1A (0.53) CDK2CDK4KDM4EALDH1A1CCNE1
SCHEMBL408673 0.70 HDAC1 (0.53) CDK2CDK4CCNE1HDAC1CDK19
SCHEMBL411464 0.69 CDK2 (0.75) CDK2CDK4TGFBR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed