SCHEMBL7368541

SCHEMBL7368541

Nc1cccnc1Nc1cccc(-c2cncc(C=Cc3ccncc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
PRKACA P17612 4/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
SRC P12931 2/20 0.38
EGFR P00533 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
AKT1 P31749 6/20 0.37
MKNK2 Q9HBH9 4/20 0.37

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
SCHEMBL7368536 1.00 NPC1 (0.40) NPC1MAPTGFERPRKACAABL1
SCHEMBL7367401 0.87 NPC1 (0.49) NPC1MAPTGFERPRKACACA12
SCHEMBL7367405 0.87 NPC1 (0.49) NPC1MAPTGFERPRKACACA12
SCHEMBL7367396 0.87 NPC1 (0.49) NPC1MAPTGFERPRKACACA12
SCHEMBL6796992 0.83 NPC1 (0.55) NPC1MAPTGFERABL1BCR
SCHEMBL6796987 0.83 NPC1 (0.55) NPC1MAPTGFERABL1BCR
SCHEMBL8054293 0.82 MAPT (0.43) NPC1MAPTABL1BCRSRC
SCHEMBL7366016 0.82 MAPT (0.43) NPC1MAPTABL1BCRSRC
SCHEMBL6798713 0.82 CA12 (0.47) NPC1PRKACAABL1BCRSRC
SCHEMBL2642013 0.81 MEN1 (0.55) PRKACAABL1BCRSRCEGFR

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