SCHEMBL3937728

SCHEMBL3937728

NC(=O)N1CCCCC1c1cn(C2CCCCO2)nc1-c1nc2cc(F)c(N3CCCOCC3)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.33
ATR Q13535 2/20 0.33
FLT3 P36888 4/20 0.33
CXCR3 P49682 2/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ITK Q08881 1/20 0.32

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
SCHEMBL3928879 0.84 ATR (0.40) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL3927246 0.84 FGFR1 (0.36) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL14311507 0.82 FGFR1 (0.35) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL3924589 0.82 FGFR1 (0.38) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL3924807 0.82 ATR (0.34) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL4125135 0.81 MAPT (0.42) FGFR1FGFR2FGFR3KDR
SCHEMBL4136031 0.81 ITK (0.36) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL3928295 0.80 ITK (0.37) ATRFLT3FGFR1FGFR2FGFR3
SCHEMBL3935076 0.78 ITK (0.37) FLT3FGFR1FGFR2FGFR3KDR
SCHEMBL3933717 0.78 ITK (0.38) FLT3FGFR1FGFR2FGFR3KDR

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-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 WO disclosed