SCHEMBL15089217

SCHEMBL15089217

c1ccc(-c2cc(-c3ccccn3)nc(N3c4cc5c(cc4-c4ccc(-c6ccccn6)c6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3cc(-c4ccccn4)cc(-c4ccccn4)n3)c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.33
NPY5R Q15761 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
SCHEMBL15088821 0.92 METAP1 (0.34) METAP1NPY5R
SCHEMBL15089166 0.92 DHODH (0.32) MAPK14
SCHEMBL15089057 0.91 IRAK4 (0.32) METAP1NPY5RMAPK14IRAK4
SCHEMBL15089171 0.90 COMT (0.33) MAPK14IRAK4
SCHEMBL15089173 0.87 MAPK14 (0.35) NPY5RMAPK14IRAK4
SCHEMBL15088895 0.87 CYP2A6 (0.35)
SCHEMBL15089285 0.87 PDE6D (0.35) METAP1NPY5R
SCHEMBL15089198 0.87 COMT (0.32) MAPK14
SCHEMBL15089172 0.86 CNR2 (0.39) MAPK14IRAK4
SCHEMBL15088908 0.86 METAP1 (0.34) METAP1NPY5RMAPK14

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