SCHEMBL7362736

SCHEMBL7362736

O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2cncc(Br)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.47
TLR2 O60603 3/20 0.47
MAPT P10636 4/20 0.45
EGFR P00533 7/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNH2 Q12809 1/20 0.40
RHOA P61586 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
SCHEMBL7362733 1.00 TLR4 (0.47) TLR4TLR2MAPTEGFRMEN1
SCHEMBL7365969 0.88 TLR4 (0.47) TLR4TLR2MAPTEGFRMEN1
SCHEMBL7365963 0.88 TLR4 (0.47) TLR4TLR2MAPTEGFRMEN1
SCHEMBL7365973 0.88 TLR4 (0.47) TLR4TLR2MAPTEGFRMEN1
SCHEMBL6794718 0.88 TLR4 (0.57) TLR4TLR2MAPTEGFRMEN1
SCHEMBL6794714 0.88 TLR4 (0.57) TLR4TLR2MAPTEGFRMEN1
SCHEMBL6796689 0.88 TLR4 (0.47) TLR4TLR2MAPTEGFRMEN1
SCHEMBL6796682 0.88 TLR4 (0.47) TLR4TLR2MAPTEGFRMEN1
SCHEMBL6804877 0.87 TLR4 (0.50) TLR4TLR2MAPTEGFRMEN1
SCHEMBL6804872 0.87 TLR4 (0.50) TLR4TLR2MAPTEGFRMEN1

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