SCHEMBL15089247

SCHEMBL15089247

c1ccc(-c2nc(-c3ccccc3)nc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3ccccc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.35
GRM5 P41594 6/20 0.34
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
DHFR P00374 1/20 0.32
MAPK14 Q16539 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL15089048 0.95 PDE6D (0.34) PDE6DGRM5MAPK14IRAK4
SCHEMBL15089246 0.93 PDE6D (0.35) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089024 0.91 PDE6D (0.39) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089239 0.90 PDE6D (0.44) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089138 0.90 PDE6D (0.42) PDE6D
SCHEMBL15089251 0.90 PDE6D (0.34) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089358 0.89 PDE6D (0.39) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089059 0.89 PDE6D (0.45) PDE6DGRM5HTR1AHTR7DHFR
SCHEMBL15089207 0.89 PDE6D (0.41) PDE6D
SCHEMBL15088813 0.88 PDE6D (0.38) PDE6DGRM5HTR1AHTR7DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed