SCHEMBL16809792

SCHEMBL16809792

N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c4ccccc34)ccc1n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MCL1 Q07820 2/20 0.35
XDH P47989 2/20 0.35
PIM1 P11309 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ACMSD Q8TDX5 1/20 0.34
PTGER4 P35408 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PDPK1 O15530 1/20 0.34
TLR4 O00206 1/20 0.34

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
SCHEMBL16809819 0.94 CYP1A2 (0.38) TDP2CYP1A2CYP2C9CYP2C19CA1
SCHEMBL16549001 0.93 CA1 (0.39) TDP2CYP1A2CYP2C9CYP2C19CA1
SCHEMBL16809854 0.93 CYP1A2 (0.37) TDP2CYP1A2CYP2C9CYP2C19CA1
SCHEMBL16456234 0.92 TDP2 (0.36) TDP2CYP1A2CYP2C9CYP2C19CA1
SCHEMBL16809518 0.91 CYP1A2 (0.39) TDP2CYP1A2CYP2C9CYP2C19PTGER4
SCHEMBL16809816 0.90 CYP1A2 (0.39) TDP2CYP1A2CYP2C9CYP2C19CA1
SCHEMBL16809540 0.90 CYP1A2 (0.38) TDP2CYP1A2CYP2C9CYP2C19PTGER4
SCHEMBL16809796 0.89 TDP2 (0.38) TDP2CYP1A2CYP2C9CYP2C19CA1
SCHEMBL16807017 0.89 TDP2 (0.38) TDP2CYP1A2CYP2C9CYP2C19CA1
SCHEMBL16809794 0.89 CA1 (0.36) CYP1A2CYP2C9CYP2C19CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9705088-B2 Triazine-based compounds and organic light-emitting devices including triazine-based compounds SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-11 US disclosed
US-20150171336-A1 TRIAZINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING TRIAZINE-BASED COMPOUNDS SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-18 US disclosed