SCHEMBL15089079

SCHEMBL15089079

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2cncnc2)N(c2cncnc2)c2cccc3cccc-4c23)nc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
DHFR P00374 1/20 0.31
MAPK14 Q16539 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL15089033 0.90 HTT (0.39) PDE6DIRAK4DHFRMAPK14PIM1
SCHEMBL15089249 0.89 HTT (0.38) PDE6DIRAK4DHFRMAPK14MAPT
SCHEMBL15089165 0.89 MAPK14 (0.34) MAPK14
SCHEMBL15089024 0.89 PDE6D (0.39) PDE6DIRAK4DHFRMAPK14PIM1
SCHEMBL15088863 0.88 KDR (0.32) PIM1PIM3
SCHEMBL15089261 0.88 PDE6D (0.42) PDE6D
SCHEMBL15089244 0.87 PDE6D (0.36) PDE6DIRAK4DHFRMAPK14PIM1
SCHEMBL15089094 0.87 PDE6D (0.38) PDE6DIRAK4DHFRMAPK14PIM1
SCHEMBL15089059 0.87 PDE6D (0.45) PDE6DIRAK4DHFRMAPK14PIM1
SCHEMBL15089239 0.86 PDE6D (0.44) PDE6DIRAK4DHFRMAPK14PIM1

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