SCHEMBL7400513

SCHEMBL7400513

O=c1c(Cc2ccc[n+]([O-])c2)nc2cccnc2n1-c1cccc(C=Cc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.35
PDE4D Q08499 3/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
NR1H3 Q13133 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FNTA P49354 4/20 0.32

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
SCHEMBL7400509 1.00 PDE4B (0.35) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL7358579 0.93 EGFR (0.34) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL8068506 0.93 EGFR (0.34) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL8067546 0.91 EGFR (0.33) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL7365553 0.91 EGFR (0.33) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL7491103 0.86 PSD (0.37) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL7358645 0.86 PSD (0.37) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL6799738 0.86 CYP17A1 (0.40) PDE4BPDE4DPDE4APDE4CEGFR
SCHEMBL6799735 0.86 CYP17A1 (0.40) PDE4BPDE4DPDE4APDE4CEGFR
SCHEMBL6799861 0.82 EGFR (0.40) PDE4BPDE4DRXFP1EGFRBTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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