SCHEMBL15089178

SCHEMBL15089178

c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-n3c5ccccc5c5ccccc53)cn2)N(c2ccc(-n3c5ccccc5c5ccccc53)cn2)c2cccc3c(-c5ccccn5)ccc-4c23)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.33
CNR2 P34972 1/20 0.32
NPY5R Q15761 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
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
SCHEMBL15089052 0.92 NPY5R (0.33) MAPK14CNR2NPY5RPIM1PIM3
SCHEMBL15089172 0.92 CNR2 (0.39) MAPK14CNR2IRAK4MAPT
SCHEMBL15089219 0.89 MAPK14 (0.36) MAPK14NPY5RPIM1PIM3
SCHEMBL15089173 0.88 MAPK14 (0.35) MAPK14CNR2NPY5RIRAK4MAPT
SCHEMBL15089210 0.87 MEN1 (0.37) MAPK14CNR2NPY5RIRAK4MAPT
SCHEMBL15089148 0.87 CYP2A6 (0.37) MAPK14CNR2PIM1MAPT
SCHEMBL15089177 0.87 MAPK14 (0.35) MAPK14NPY5RPIM1PIM3
SCHEMBL15089185 0.86 NPY5R (0.32) MAPK14NPY5RIRAK4
SCHEMBL15088823 0.86 PDE6D (0.30)
SCHEMBL15089211 0.85 MAPK14 (0.33) MAPK14PIM1PIM3

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