SCHEMBL21295871

SCHEMBL21295871

[c]1cc2occc2cc1-c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.56
CDK9 P50750 1/20 0.36
NOTUM Q6P988 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2A6 P11509 3/20 0.32
BUB1 O43683 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 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
SCHEMBL21295854 0.87 DYRK1A (0.51) DYRK1ACDK9NOTUMLMNAMAPT
SCHEMBL21295864 0.84 PTPN1 (0.40) DYRK1ACDK9CYP2A6KDM4ECYP3A4
SCHEMBL21295935 0.83 ALDH1A1 (0.41) DYRK1ALMNAMAPTTSHRSMN1; SMN2
SCHEMBL21295720 0.73 KDM4E (0.38) DYRK1ALMNAMAPTSMN1; SMN2KDM4E
SCHEMBL6829643 0.72 DYRK1A (1.00) DYRK1ACDK9CYP19A1
SCHEMBL21295914 0.68 DYRK1A (0.49) DYRK1ANOTUMLMNAMAPTMAPK14
SCHEMBL28570256 0.68 DYRK1A (0.53) DYRK1ACDK9NOTUMLMNAMAPT
SCHEMBL596938 0.67 CYP2A6 (0.37) DYRK1ACDK9CYP2A6KDM4ECYP3A4
SCHEMBL3810173 0.67 DYRK1A (0.36) DYRK1ACDK9TSHRCYP2A6KDM4E
SCHEMBL21300530 0.67 MAPT (0.40) NOTUMLMNAMAPTSMN1; SMN2MEN1

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