SCHEMBL16807017

SCHEMBL16807017

N#Cc1ccc2c3cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)ccc3n(-c3ccccc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 4/20 0.38
CYP1A2 P05177 8/20 0.36
CYP3A4 P08684 7/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP2D6 P10635 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 4/20 0.36
CYP2C19 P33261 4/20 0.36
CLK4 Q9HAZ1 4/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 3/20 0.36
CYP2C9 P11712 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 3/20 0.35
PTGER4 P35408 1/20 0.35
PDPK1 O15530 1/20 0.35

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 0.95 CYP1A2 (0.38) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16807014 0.91 PIM1 (0.39) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16809854 0.91 CYP1A2 (0.37) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16809816 0.91 CYP1A2 (0.39) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16809792 0.89 TDP2 (0.37) TDP2CYP1A2CYP2C19CYP2C9PTGER4
SCHEMBL16807018 0.88 CYP1A2 (0.41) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16456234 0.88 TDP2 (0.36) TDP2CYP1A2MEN1KMT2ACYP2C19
SCHEMBL16807015 0.87 TDP2 (0.40) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16557954 0.86 CYP1A2 (0.39) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16809815 0.85 PIM1 (0.40) TDP2CYP1A2CYP3A4ALDH1A1CYP2D6

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 4 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-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
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