SCHEMBL19933128

SCHEMBL19933128

N#Cc1ccc(-c2ccncc2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CDK8 P49336 2/20 0.46
PRKACA P17612 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCQ Q04759 1/20 0.46
ROCK1 Q13464 1/20 0.46
DYRK1A Q13627 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MAPK14 Q16539 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38
SLC6A2 P23975 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL19062273 0.90 KDM4E (0.42) CYP11B1CYP11B2IMPDH2LMNAMAPT
SCHEMBL28573129 0.88 KDM4E (0.43) CYP11B1CYP11B2IMPDH2LMNAHTT
SCHEMBL21397043 0.85 PLAUR (0.37) GSK3BCDK8PRKACACLK2GSK3A
SCHEMBL31273485 0.85 CYP11B2 (0.48) CYP11B1CYP11B2NCOA3KDM4E
SCHEMBL22378784 0.84 ESR2 (0.37) CYP11B1CYP11B2IMPDH2KDM4EATM
SCHEMBL21116457 0.84 ALDH1A1 (0.40) CYP11B1CYP11B2IMPDH2LMNAHTT
SCHEMBL21116546 0.84 TSPO (0.40) CYP11B1CYP11B2IMPDH2LMNAHTT
SCHEMBL21687623 0.84 CYP11B1 (0.37) GSK3BCDK8PRKACACLK2GSK3A
SCHEMBL24926847 0.83 CYP11B1 (0.39) CYP11B1CYP11B2IMPDH2LMNAHTT
SCHEMBL24927125 0.83 CYP11B1 (0.39) CYP11B1CYP11B2IMPDH2LMNAHTT

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-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US disclosed
US-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US disclosed
EP-3290411-A1 ORGANIC MOLECULES, PARTICULARLY FOR USE IN ORGANIC OPTOELECTRIC DEVICES CYNORA GMBH (DE) 2018-03-07 EP disclosed