SCHEMBL17691973

SCHEMBL17691973

c1ccc2c(c1)c(-c1ccc3ncncc3c1)cc1ccc3cc(-c4ccc5nccnc5c4)ccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.50
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
KDM4E B2RXH2 1/20 0.37
EGFR P00533 5/20 0.36
FGFR4 P22455 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CYP11B1 P15538 2/20 0.34
ERN1 O75460 2/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
TGFBR1 P36897 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL20698344 0.93 TDO2 (0.50) TDO2PIK3CDPIK3CAKDM4EEGFR
SCHEMBL17691970 0.89 NPC1 (0.40) TDO2PIK3CAKDM4ENPC1POLB
SCHEMBL22617879 0.87 TDO2 (0.40) TDO2PIK3CDPIK3CAKDM4EEGFR
SCHEMBL17691976 0.87 TDO2 (0.57) TDO2PIK3CDPIK3CAKDM4EEGFR
SCHEMBL17691859 0.84 PIK3CA (0.54) TDO2PIK3CDPIK3CAEGFRFGFR4
SCHEMBL17231467 0.83 PIK3CA (0.57) TDO2PIK3CDPIK3CAEGFRFGFR4
SCHEMBL17691978 0.81 CYP3A4 (0.45) TDO2KDM4ENPC1POLBRAB9A
SCHEMBL17691972 0.80 CYP3A4 (0.40) TDO2PIK3CAKDM4ENPC1POLB
SCHEMBL22617880 0.79 NPC1 (0.37) PIK3CAKDM4ENPC1POLBRAB9A
SCHEMBL17691850 0.77 PIK3CD (0.68) TDO2PIK3CDPIK3CAKDM4EEGFR

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-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed