SCHEMBL808121

SCHEMBL808121

N#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.48
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
CYP11B2 P19099 1/20 0.34
PGR P06401 2/20 0.34
MYC P01106 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
TSHR P16473 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ALDH1A3 P47895 1/20 0.33
MMP3 P08254 1/20 0.33
KAT6A Q92794 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
SCHEMBL25121471 0.92 PDK2 (0.42) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL19735447 0.91 PDK2 (0.41) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL15183583 0.90 PDK2 (0.44) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL19218888 0.90 PDK2 (0.44) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL17858646 0.90 PDK2 (0.42) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL16998982 0.90 PDK2 (0.40) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL16996418 0.90 PDK2 (0.40) PDK2MAOBMAOAPGRTSHR
SCHEMBL807847 0.89 PDK2 (0.48) PDK2MAOBMAOAPGRTSHR
SCHEMBL807845 0.89 PDK2 (0.48) PDK2MAOBMAOAPGRTSHR
SCHEMBL17854524 0.89 PDK2 (0.44) PDK2GABRA1GABRG2GABRB3GABRA5

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117836-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
EP-2826079-B1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-01-20 EP disclosed
US-10454040-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
US-10270052-B2 Electronic device MERCK PATENT GMBH (DE) 2019-04-23 US disclosed
EP-3460864-A1 ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-03-27 EP disclosed
US-20180138439-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2018-05-17 US disclosed
US-20180138439-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2018-05-17 US disclosed
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-9947874-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2018-04-17 US disclosed
US-20150270506-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150236261-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-20 US disclosed
US-20150236261-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-20 US disclosed
US-20150115239-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-30 US disclosed
US-20150115239-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-30 US disclosed
EP-2616428-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-12-24 EP disclosed
WO-2013135352-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-09-19 WO disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130207046-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012034627-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 WO disclosed