SCHEMBL7361064

SCHEMBL7361064

COC(=O)c1cncc(C=Cc2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 7/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
POLB P06746 2/20 0.48
JAK2 O60674 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TLR4 O00206 3/20 0.42
TLR2 O60603 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL7361062 1.00 MAPK1 (0.52) MAPK1L3MBTL1MAPTRAB9ANPC1
SCHEMBL7360890 0.87 MAPT (0.45) MAPK1L3MBTL1MAPTRAB9ANPC1
SCHEMBL7360882 0.87 MAPT (0.45) MAPK1L3MBTL1MAPTRAB9ANPC1
SCHEMBL7360885 0.87 MAPT (0.45) MAPK1L3MBTL1MAPTRAB9ANPC1
SCHEMBL7366930 0.85 MAPT (0.41) MAPK1L3MBTL1MAPTRAB9AMEN1
SCHEMBL7366927 0.85 MAPT (0.41) MAPK1L3MBTL1MAPTRAB9AMEN1
SCHEMBL7365963 0.83 TLR4 (0.47) MAPK1L3MBTL1MAPTRAB9ANPC1
SCHEMBL7365969 0.83 TLR4 (0.47) MAPK1L3MBTL1MAPTRAB9ANPC1
SCHEMBL7365973 0.83 TLR4 (0.47) MAPK1L3MBTL1MAPTRAB9ANPC1
SCHEMBL6794718 0.83 TLR4 (0.57) MAPK1L3MBTL1MAPTRAB9ANPC1

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