SCHEMBL21295930

SCHEMBL21295930

[c]1cc(-c2ccncc2)c2ccoc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.42
DYRK1A Q13627 2/20 0.41
EED O75530 2/20 0.34
SUZ12 Q15022 2/20 0.34
EZH2 Q15910 2/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3B P49841 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
PTK2 Q05397 1/20 0.32
ACVR1 Q04771 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
IMPDH2 P12268 1/20 0.31

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
SCHEMBL21295838 0.82 MAOA (0.37) EEDSUZ12EZH2MAPTSMN1; SMN2
SCHEMBL21295682 0.81 CYP2A6 (0.41) DYRK1AEEDSUZ12EZH2MAPT
SCHEMBL29127817 0.75 EED (0.46) MAPK14DYRK1AEEDSUZ12EZH2
SCHEMBL30666886 0.75 EED (0.46) MAPK14DYRK1AEEDSUZ12EZH2
SCHEMBL28573371 0.75 GSK3B (0.43) MAPK14DYRK1AMAPTLMNAGSK3B
SCHEMBL21295662 0.72 DYRK1A (0.41) MAPK14DYRK1AMAPTLMNASMN1; SMN2
SCHEMBL21300578 0.72 KDM4E (0.39) MAPK14MAPTLMNASMN1; SMN2TSHR
SCHEMBL21295886 0.68 MAPK14 (0.38) MAPK14MAPTLMNASMN1; SMN2KMT2A
SCHEMBL28516277 0.66
SCHEMBL21295609 0.66 DYRK1A (0.41) MAPK14DYRK1AEEDSUZ12EZH2

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