SCHEMBL15089216

SCHEMBL15089216

c1ccc(-c2cc(-c3ccccc3)nc(N3c4cc5c(cc4-c4ccc(-c6ccccn6)c6cccc3c46)c3cc(-c4ccccn4)ccc3n5-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
MAPK14 Q16539 1/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
NPY5R Q15761 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
SCHEMBL15089218 0.91 MAPK14 (0.31) DHODHMAPK14IRAK4
SCHEMBL15089038 0.91 PDE6D (0.34) DHODHMAPK14TSHRMAPK1HSD17B10
SCHEMBL15089197 0.89 MAPK14 (0.35) MAPK14IRAK4NPY5R
SCHEMBL15088845 0.87 KDR (0.32) MAPK14IRAK4NPY5R
SCHEMBL15089199 0.87 MAPK14 (0.31) MAPK14
SCHEMBL15088841 0.87 PDE6D (0.30)
SCHEMBL15089246 0.86 PDE6D (0.35) DHODHMAPK14TSHRMAPK1HSD17B10
SCHEMBL15089166 0.85 DHODH (0.32) DHODHMAPK14TSHRMAPK1HSD17B10
SCHEMBL15089211 0.84 MAPK14 (0.33) MAPK14
SCHEMBL15089170 0.84 TSHR (0.32) DHODHMAPK14TSHRMAPK1HSD17B10

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