SCHEMBL17033908

SCHEMBL17033908

c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6ccc7c(cc8c9ccccc9c9ccccc9n87)c65)n4)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
DKK1 O94907 2/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPK8 P45983 2/20 0.31
PIK3CG P48736 2/20 0.31
GSK3B P49841 2/20 0.31
CAMKK2 Q96RR4 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
PTK2B Q14289 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CAMK2D Q13557 1/20 0.31
MCL1 Q07820 1/20 0.30
PTPN1 P18031 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17033876 0.99 PIK3CA (0.35) PIK3CADKK1PDE10ACAMK2DMCL1
SCHEMBL17033456 0.88 KDM4E (0.30) MAPTKMT2AKDM4EMEN1
SCHEMBL14979351 0.87 DKK1 (0.38) PIK3CADKK1PDE10AMAPK8PIK3CG
SCHEMBL14979404 0.87 DKK1 (0.38) PIK3CADKK1PDE10AMAPK8PIK3CG
SCHEMBL17033875 0.86
SCHEMBL17033872 0.86 PIK3CA (0.34) PIK3CADKK1
SCHEMBL14979355 0.86 PIK3CA (0.37) PIK3CADKK1PDE10ACAMK2DMCL1
SCHEMBL17033892 0.85 PIK3CA (0.35) PIK3CAPDE10APOLB
SCHEMBL14979431 0.85 HCRTR1 (0.38) PIK3CADKK1PDE10AMAPK8PIK3CG
SCHEMBL14979353 0.85 PIK3CA (0.37) PIK3CADKK1PDE10ACAMK2DMCL1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed