SCHEMBL7367418

SCHEMBL7367418

CC(=O)Nc1ccc(/C=C/c2cccc(Nc3ncccc3[N+](=O)[O-])c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
TLR4 O00206 3/20 0.42
TLR2 O60603 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KCNH2 Q12809 1/20 0.41
JAK2 O60674 1/20 0.41
EGFR P00533 1/20 0.41
POLB P06746 1/20 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
SCHEMBL7367425 1.00 MAPT (0.46) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7362935 0.87 KMT2A (0.46) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7362930 0.87 KMT2A (0.46) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7361610 0.84 EGFR (0.41) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7361613 0.84 EGFR (0.41) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL6794718 0.82 TLR4 (0.57) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL6794714 0.82 TLR4 (0.57) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL6797523 0.80 MEN1 (0.63) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL6796952 0.80 TLR4 (0.53) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL6796960 0.80 TLR4 (0.53) MAPTRAB9ANPC1MEN1KMT2A

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