SCHEMBL7362936

SCHEMBL7362936

COc1ccc2cc(-c3cccc(Nc4ncccc4[N+](=O)[O-])c3)ccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47
EGFR P00533 1/20 0.46
TNF P01375 1/20 0.43
ABCG2 Q9UNQ0 8/20 0.43
ABCB1 P08183 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TYMS P04818 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
SCHEMBL7364766 0.84 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2EGFRTNF
SCHEMBL6799661 0.83 ABCG2 (0.52) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL6797852 0.80 MAPT (0.50) MEN1KMT2AL3MBTL1FGFR1FGFR2
SCHEMBL6792428 0.77 PDE5A (0.49) MEN1KMT2AL3MBTL1FGFR1FGFR2
SCHEMBL6797321 0.76 MAPT (0.55) MEN1KMT2AL3MBTL1EGFRABCG2
SCHEMBL6803111 0.75 MAPT (0.61) MEN1KMT2AL3MBTL1ABCG2MAPT
SCHEMBL6798323 0.75 MAPT (0.54) MEN1KMT2AL3MBTL1EGFRABCG2
SCHEMBL6790872 0.74 MAPT (0.56) MEN1KMT2AL3MBTL1ABCG2MAPT
SCHEMBL7357488 0.74 MAPT (0.56) MEN1KMT2AL3MBTL1EGFRABCG2
SCHEMBL6795443 0.74 MAPT (0.53) MEN1KMT2AL3MBTL1EGFRABCG2

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