SCHEMBL7367833

SCHEMBL7367833

O=C(C=Cc1ccccn1)Nc1cccc(-c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.49
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7367827 1.00 EGFR (0.49) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7359779 0.87 MAPT (0.49) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7359782 0.87 MAPT (0.49) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7363300 0.86 MAPT (0.48) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7363299 0.85 MAPT (0.45) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7487971 0.85 MAPT (0.45) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7364163 0.84 JAK3 (0.48) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL7364170 0.84 JAK3 (0.48) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL7362935 0.81 KMT2A (0.46) EGFRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7362930 0.81 KMT2A (0.46) EGFRNPC1RAB9AMAPTSMN1; SMN2

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