SCHEMBL4551786

SCHEMBL4551786

Cc1cnc(-c2ccc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)nc2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
FGFR1 P11362 8/20 0.46
FLT1 P17948 4/20 0.46
BRD4 O60885 2/20 0.46
TERT O14746 1/20 0.45
KDR P35968 5/20 0.44
FGFR2 P21802 3/20 0.44
FGFR3 P22607 3/20 0.44
DGAT1 O75907 1/20 0.44
SOAT1 P35610 1/20 0.44
KCNH2 Q12809 1/20 0.44
CDK1 P06493 1/20 0.42
RET P07949 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TOP1 P11387 1/20 0.41
TOP2A P11388 1/20 0.41
HPGD P15428 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
SCHEMBL4551767 0.91 SIRT2 (0.56) CBFBSIRT2SIRT1FGFR1FLT1
SCHEMBL4139318 0.87 CBFB (0.54) CBFBSIRT2SIRT1FGFR1FLT1
SCHEMBL4184277 0.86 CBFB (0.65) CBFBSIRT2SIRT1FGFR1FLT1
SCHEMBL4144680 0.86 CBFB (0.52) CBFBSIRT2SIRT1FGFR1FLT1
SCHEMBL4148558 0.85 SIRT2 (0.53) CBFBSIRT2SIRT1FGFR1FLT1
SCHEMBL15252911 0.84 SIRT2 (0.50) CBFBSIRT2SIRT1FGFR1FLT1
SCHEMBL15252879 0.83 SIRT2 (0.50) CBFBSIRT2SIRT1FGFR1FLT1
SCHEMBL4153436 0.83 SIRT2 (0.51) CBFBSIRT2SIRT1BRD4
SCHEMBL15252550 0.81 SIRT2 (0.51) CBFBSIRT2SIRT1FGFR1BRD4
SCHEMBL4151233 0.80 ALDH1A1 (0.52) CBFBFGFR1FLT1BRD4TERT

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-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP disclosed
EP-2054405-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-05-06 EP disclosed
WO-2008007900-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-01-17 WO disclosed