SCHEMBL21295751

SCHEMBL21295751

[c]1c(-c2ccncc2)ccc2ccsc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK14 Q16539 1/20 0.33
VCP P55072 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
QDPR P09417 1/20 0.32
CDC7 O00311 2/20 0.32
DBF4 Q9UBU7 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 3/20 0.32
AR P10275 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
CYP19A1 P11511 2/20 0.31
CYP1A2 P05177 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
SCHEMBL28914762 0.81 PDPK1 (0.34) RAB9ASMN1; SMN2HPGD
SCHEMBL21295615 0.80 CYP2A6 (0.51) MAPTRAB9AKDM4EHPGDCYP19A1
SCHEMBL21295810 0.71 MAPT (0.34) MAPTLMNAPOLBMAPK14KDM4E
SCHEMBL21295757 0.71 KDM4E (0.41) MAPTLMNAPOLBVCPRAB9A
SCHEMBL21295910 0.70 LMNA (0.38) MAPTLMNAPOLBMAPK14PDGFRB
SCHEMBL21300585 0.66 DYRK1A (0.36) MAPTLMNAPOLBMAPK14RAB9A
SCHEMBL21295614 0.66 MAPK14 (0.35) MAPTLMNAPOLBMAPK14RAB9A
SCHEMBL3811788 0.65
SCHEMBL21295666 0.65
SCHEMBL21295966 0.64 DYRK1A (0.42) MAPTLMNAMAPK14RAB9ASMN1; SMN2

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