SCHEMBL7360958

SCHEMBL7360958

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
EGFR P00533 7/20 0.47
ABCG2 Q9UNQ0 4/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PRKCA P17252 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL6796955 0.87 ABCG2 (0.53) MAPTEGFRABCG2ABL1BCR
SCHEMBL6795443 0.83 MAPT (0.53) MAPTEGFRABCG2ABL1BCR
SCHEMBL6797321 0.83 MAPT (0.55) MAPTEGFRABCG2NPC1RAB9A
SCHEMBL6802199 0.83 EGFR (0.48) EGFRABCG2ABL1BCRSRC
SCHEMBL6798323 0.82 MAPT (0.54) MAPTEGFRABCG2NPC1RAB9A
SCHEMBL7366016 0.82 MAPT (0.43) MAPTEGFRABCG2ABL1BCR
SCHEMBL8054293 0.82 MAPT (0.43) MAPTEGFRABCG2ABL1BCR
SCHEMBL30791403 0.82 EGFR (0.65) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL645368 0.82 EGFR (0.65) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL7362736 0.82 TLR4 (0.47) 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