SCHEMBL8163189

SCHEMBL8163189

O=C1NCc2cc(-c3ccc(F)c(F)c3)ccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.75
NTRK1 P04629 2/20 0.75
FLT3 P36888 2/20 0.75
CLK4 Q9HAZ1 2/20 0.75
DAPK3 O43293 1/20 0.75
PIM1 P11309 1/20 0.75
ROCK1 Q13464 1/20 0.75
NTRK2 Q16620 2/20 0.51
JAK2 O60674 1/20 0.51
MET P08581 1/20 0.51
FGFR1 P11362 1/20 0.51
PRKACA P17612 1/20 0.51
KDR P35968 1/20 0.51
MAP2K2 P36507 1/20 0.51
MAP2K1 Q02750 1/20 0.51
MST1R Q04912 1/20 0.51
NTRK3 Q16288 1/20 0.51
CAMK1D Q8IU85 1/20 0.51
GRM5 P41594 4/20 0.51
PRF1 P14222 4/20 0.49

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
SCHEMBL14847349 0.82 GSK3B (0.68) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL10243599 0.81 PARP10 (0.74) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL504639 0.80 GRM5 (0.76) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL8167297 0.79 CLK4 (0.75) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL8163192 0.78 CLK4 (0.59) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL14847333 0.77 GSK3B (0.58) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL164795 0.77 GRM5 (0.68) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL30545957 0.77 GRM5 (0.68) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL1079809 0.76 CLK4 (0.51) GSK3BNTRK1FLT3CLK4DAPK3
SCHEMBL2014718 0.75 PRF1 (0.61) GSK3BNTRK1FLT3CLK4DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 WO disclosed