SCHEMBL21295909

SCHEMBL21295909

[c]1ccc(-c2ccncc2)c2ccsc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GGPS1 O95749 1/20 0.32
GSK3B P49841 2/20 0.31
DYRK1A Q13627 2/20 0.31
CDC7 O00311 1/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 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
SCHEMBL21295846 0.82 BCAT2 (0.40) MAPTRAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL21300593 0.82 CYP2A6 (0.51) NPC1RAB9AGSK3BDYRK1AKDM4E
SCHEMBL28567776 0.76 RAB9A (0.38) MAPK14MAPTNPC1RAB9AGFER
SCHEMBL21295814 0.72 MAPK14 (0.39) MAPK14MAPTNPC1RAB9AGFER
SCHEMBL21295832 0.72 ADORA1 (0.41) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL28573358 0.69 MAPT (0.33) MAPK14MAPTPOLBLMNAGSK3B
SCHEMBL27542535 0.68 IMPDH2 (0.43) MAPTNPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL3817663 0.66
SCHEMBL21295636 0.66 MAPK14 (0.39) MAPK14MAPTSMN1; SMN2PIK3CDLMNA
SCHEMBL21295948 0.66 MAPK14 (0.39) MAPK14MAPTNPC1RAB9AGFER

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