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SCHEMBL15089057

SCHEMBL15089057

c1ccc(-c2cc(-c3ccccn3)nc(N3c4cc5c(cc4-c4cccc6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3cc(-c4ccccn4)cc(-c4ccccn4)n3)c2)nc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ METAP1 P53582 2/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ PDE6D O43924 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
SCHEMBL15089285 0.95 PDE6D (0.35) KDM4EALDH1A1GAAMETAP1NPY5R
SCHEMBL15088908 0.94 METAP1 (0.34) KDM4EALDH1A1GAAMETAP1NPY5R
SCHEMBL15089082 0.92 PDE6D (0.35) IRAK4KDM4EALDH1A1GAAPDE6D
SCHEMBL15089217 0.91 METAP1 (0.33) IRAK4METAP1NPY5RMAPK14
SCHEMBL15089058 0.91 KDM4E (0.35) IRAK4KDM4EALDH1A1GAANPY5R
SCHEMBL15089109 0.90 KDM4E (0.35) KDM4EALDH1A1GAAMETAP1NPY5R
SCHEMBL15089026 0.87 PDE6D (0.35) IRAK4KDM4EALDH1A1GAACASP1
SCHEMBL15089361 0.87 PDE6D (0.35) IRAK4KDM4EALDH1A1GAACASP1
SCHEMBL15088821 0.87 METAP1 (0.34) METAP1NPY5R
SCHEMBL15089245 0.87 PDE6D (0.36) PDE6D

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