SCHEMBL21295901

SCHEMBL21295901

[c]1cc2cc(-c3ccncc3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.54
AAK1 Q2M2I8 10/20 0.44
CYP19A1 P11511 1/20 0.44
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CLK1 P49759 1/20 0.41
QDPR P09417 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAP4K4 O95819 2/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
ROCK1 Q13464 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL21295740 0.86 CYP19A1 (0.51) DYRK1AAAK1CYP19A1PDE3BPDE3A
SCHEMBL693553 0.81 PGR (0.47) DYRK1ACLK1MAPTCLK2CDK5
SCHEMBL21295857 0.80 CYP11B2 (0.54) CYP19A1
SCHEMBL21300599 0.73 KDM4E (0.41) LMNAMAPT
SCHEMBL23924863 0.72 LMNA (0.55) DYRK1AAAK1CYP19A1CLK1QDPR
SCHEMBL9612000 0.71 LMNA (0.61) DYRK1AAAK1CYP19A1CLK1QDPR
SCHEMBL6829643 0.70 DYRK1A (1.00) DYRK1ACYP19A1CDK9
SCHEMBL17123368 0.69 LMNA (0.58) DYRK1AAAK1CYP19A1CLK1QDPR
SCHEMBL694198 0.69 PGR (0.56)
SCHEMBL29768273 0.69 DYRK1A (0.59) DYRK1AAAK1CYP19A1CLK1QDPR

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
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed