SCHEMBL15764697

SCHEMBL15764697

O=C(Nc1ccc2[nH]ncc2c1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
ROCK2 O75116 5/20 0.69
ROCK1 Q13464 5/20 0.69
MAP4K4 O95819 2/20 0.69
RPS6KB1 P23443 2/20 0.69
CLK2 P49760 2/20 0.69
DYRK1A Q13627 2/20 0.69
CLK4 Q9HAZ1 2/20 0.69
DYRK3 O43781 1/20 0.69
CSNK2A1 P68400 1/20 0.69
MKNK2 Q9HBH9 1/20 0.69
MAOB P27338 4/20 0.68
JAK2 O60674 2/20 0.65
PRKD3 O94806 1/20 0.62
PRKG1 Q13976 1/20 0.62
PRKD2 Q9BZL6 1/20 0.62
SGK2 Q9HBY8 1/20 0.62
STK17A Q9UEE5 1/20 0.62
TMIGD3 P0DMS9 1/20 0.61

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
SCHEMBL16888856 0.84 NPC1 (0.64) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL5415117 0.84 MAOB (0.80) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL7261149 0.82 NPC1 (0.68) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL1664461 0.82 NPC1 (1.00) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL15764676 0.82 NPC1 (1.00) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL18668994 0.81 MAOB (0.84) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL15887002 0.80 MAOB (0.81) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL15764656 0.80 NPC1 (0.81) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL5707229 0.80 NPC1 (0.72) NPC1RAB9AROCK2ROCK1MAP4K4
SCHEMBL5414918 0.80 NPC1 (0.85) NPC1RAB9AROCK2ROCK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951316-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE (US) 2018-04-24 US disclosed
US-20150191701-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE 2015-07-09 US disclosed
US-8962322-B2 Enhancers of induced pluripotent stem cell reprogramming CITY OF HOPE 2015-02-24 US disclosed
US-20140154805-A1 ENHANCERS OF INDUCED PLURIPOTENT STEM CELL REPROGRAMMING CITY OF HOPE (US) 2014-06-05 US disclosed