SCHEMBL5168732

SCHEMBL5168732

Clc1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cnc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.54
FGFR1 P11362 6/20 0.49
FLT1 P17948 4/20 0.49
CYP11B1 P15538 1/20 0.47
KDR P35968 3/20 0.47
CDK1 P06493 1/20 0.47
RET P07949 1/20 0.47
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
DYRK1A Q13627 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
BRD4 O60885 2/20 0.45
DGAT1 O75907 1/20 0.44
SOAT1 P35610 1/20 0.44
KCNH2 Q12809 1/20 0.44
ERBB2 P04626 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL4196064 0.81 CBFB (0.62) CBFBFGFR1FLT1KDRSIRT2
SCHEMBL4184277 0.81 CBFB (0.65) CBFBFGFR1FLT1KDRCDK1
SCHEMBL4551767 0.80 SIRT2 (0.56) CBFBFGFR1FLT1SIRT2SIRT1
SCHEMBL4551786 0.79 CBFB (0.56) CBFBFGFR1FLT1KDRCDK1
SCHEMBL4143484 0.78 SIRT2 (0.55) CBFBFGFR1FLT1KDRSIRT2
SCHEMBL4139318 0.77 CBFB (0.54) CBFBFGFR1FLT1KDRCDK1
SCHEMBL4144680 0.76 CBFB (0.52) CBFBFGFR1FLT1SIRT2SIRT1
SCHEMBL15252911 0.76 SIRT2 (0.50) CBFBFGFR1FLT1KDRSIRT2
SCHEMBL15252879 0.74 SIRT2 (0.50) CBFBFGFR1FLT1KDRSIRT2
SCHEMBL4148558 0.73 SIRT2 (0.53) CBFBFGFR1FLT1KDRDYRK1A

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-1861387-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2007-12-05 EP claimed
WO-2006080821-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2006-08-03 WO claimed