SCHEMBL5795553

SCHEMBL5795553

Cc1cccc(-c2nc3ccccn3c2-c2ccnc(NCCc3cccnc3)n2)n1.Cc1cccc(-c2nc3ccccn3c2-c2ccnc(NCCc3ccncc3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
CDK2 P24941 9/20 0.44
CDK4 P11802 4/20 0.44
CCNE1 P24864 4/20 0.44
MKNK1 Q9BUB5 5/20 0.44
MKNK2 Q9HBH9 5/20 0.44
CDK19 Q9BWU1 2/20 0.42
ALK Q9UM73 2/20 0.42
OGA O60502 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
MATK P42679 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CLK2 P49760 1/20 0.41

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
SCHEMBL413728 0.97 HDAC1 (0.49) HDAC1CDK2CDK4CCNE1MKNK1
SCHEMBL408673 0.94 HDAC1 (0.53) HDAC1CDK2CDK4CCNE1MKNK1
SCHEMBL3360699 0.91 HDAC1 (0.54) HDAC1CDK2CDK4CCNE1MKNK1
SCHEMBL409778 0.82 CDK2 (0.57) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL413474 0.82 CDK2 (0.47) HDAC1CDK2CDK4CCNE1CDK19
SCHEMBL415283 0.80 CDK2 (0.49) HDAC1CDK2CDK4CCNE1DYRK3
SCHEMBL413670 0.80 CDK19 (0.49) HDAC1CDK2CDK4CCNE1MKNK1
SCHEMBL412332 0.80 DYRK3 (0.54) HDAC1CDK2CDK4CCNE1MKNK1
SCHEMBL414098 0.79 CDK2 (0.48) HDAC1CDK2CDK4CCNE1DYRK3
SCHEMBL407989 0.78 CDK2 (0.48) HDAC1CDK2CDK4CCNE1CDK19

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
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP claimed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP claimed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 WO claimed