SCHEMBL7367401

SCHEMBL7367401

Nc1cccnc1Nc1cccc(C=Cc2cncc(/C=C/c3ccncc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 1/20 0.49
KDM1A O60341 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
AKT1 P31749 9/20 0.39
ROCK2 O75116 5/20 0.39
PRKACA P17612 5/20 0.39
ROCK1 Q13464 5/20 0.39
DYRK1A Q13627 5/20 0.39
PIM1 P11309 4/20 0.39
MAP4K4 O95819 3/20 0.39
PKN2 Q16513 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
STK17A Q9UEE5 3/20 0.39
PRKCD Q05655 3/20 0.39

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
SCHEMBL7367405 1.00 NPC1 (0.49) NPC1MAPTGFERKDM1ACA12
SCHEMBL7367396 1.00 NPC1 (0.49) NPC1MAPTGFERKDM1ACA12
SCHEMBL6796992 0.94 NPC1 (0.55) NPC1MAPTGFERKDM1ACA12
SCHEMBL6796987 0.94 NPC1 (0.55) NPC1MAPTGFERKDM1ACA12
SCHEMBL6793309 0.88 TLR4 (0.47) NPC1MAPTGFERCA12CA1
SCHEMBL6793312 0.88 TLR4 (0.47) NPC1MAPTGFERCA12CA1
SCHEMBL7368536 0.87 NPC1 (0.40) NPC1MAPTGFERCA12CA1
SCHEMBL7368541 0.87 NPC1 (0.40) NPC1MAPTGFERCA12CA1
SCHEMBL6799026 0.87 NPC1 (0.44) NPC1MAPTGFERCA12CA1
SCHEMBL6799031 0.87 NPC1 (0.44) NPC1MAPTGFERCA12CA1

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
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed