SCHEMBL8340916

SCHEMBL8340916

C#Cc1nccnc1N.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 10/20 0.40
PLG P00747 1/20 0.36
F12 P00748 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MEN1 O00255 1/20 0.34
PSIP1 O75475 1/20 0.34
AXL P30530 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
MAOB P27338 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL2525378 0.78 BIRC5 (0.30)
SCHEMBL14976487 0.78 MAP4K4 (0.31) MAP4K4
SCHEMBL1643517 0.76 MAP4K4 (0.46) MAP4K4PLGF12F11KLKB1
SCHEMBL1476448 0.76 NFE2L2 (0.33) MAP4K4
SCHEMBL1644263 0.76 MAP4K4 (0.37) MAP4K4PLGF12F11KLKB1
SCHEMBL1477713 0.74 RORB (0.37) MEN1
SCHEMBL1477143 0.74 SCN9A (0.39)
Bicarbonate SCHEMBL14829490 0.73 NAPRT (0.37)
SCHEMBL1477483 0.73 CYP2A6 (0.40) MAP4K4NOS3NOS1NOS2
SCHEMBL1476408 0.73 MEN1 (0.35) MAP4K4MEN1PSIP1AXLMKNK1

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
JP-11209379-A None JP disclosed
JP-H11209379-A SUPEROXIDE DETECTION REAGENT ATOO KK 1999-08-03 JP disclosed