SCHEMBL7366016

SCHEMBL7366016

O=[N+]([O-])c1cccnc1Nc1cccc(-c2cncc(C=Cc3ccncc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ABCG2 Q9UNQ0 4/20 0.41
EGFR P00533 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PRKCA P17252 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNH2 Q12809 1/20 0.39
TLR4 O00206 2/20 0.38
TLR2 O60603 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8054293 1.00 MAPT (0.43) MAPTABCG2EGFRABL1BCR
SCHEMBL7365973 0.89 TLR4 (0.47) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL7365963 0.89 TLR4 (0.47) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL7365969 0.89 TLR4 (0.47) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6798711 0.85 TLR4 (0.51) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6798714 0.85 TLR4 (0.51) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6795443 0.84 MAPT (0.53) MAPTABCG2EGFRABL1BCR
SCHEMBL6796955 0.83 ABCG2 (0.53) MAPTABCG2EGFRABL1BCR
SCHEMBL7359779 0.82 MAPT (0.49) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL7359782 0.82 MAPT (0.49) MAPTEGFRNPC1RAB9ANFKB1

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