SCHEMBL16887487

SCHEMBL16887487

CCCC#Cc1cnc(N)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.41
▸ TLR8 Q9NR97 2/20 0.36
▸ NOS3 P29474 3/20 0.34
▸ NOS1 P29475 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ POLQ O75417 1/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ FGFR2 P21802 1/20 0.30
▸ FGFR4 P22455 1/20 0.30
▸ FGFR3 P22607 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30

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
SCHEMBL29317272 0.85 NOS3 (0.33) NOS3NOS1NOS2POLQFGFR1
SCHEMBL16887480 0.73 DRD2 (0.46) TLR7
SCHEMBL18304650 0.73 KDM4E (0.40) TLR7
SCHEMBL29313297 0.73 NOS3 (0.33) NOS3NOS1NOS2POLQFGFR1
SCHEMBL17567286 0.72 GRM5 (0.45) TLR7TLR8
SCHEMBL23627444 0.71 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL18304646 0.69 MAPK1 (0.41) —
SCHEMBL617257 0.69 ALOX5AP (0.35) POLQ
SCHEMBL30525699 0.68 SMN1; SMN2 (0.40) NOS1
SCHEMBL24538233 0.68 SMN1; SMN2 (0.40) NOS1

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-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 — — WO disclosed
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