SCHEMBL21297634

SCHEMBL21297634

[c]1cccc2c(-c3ccncc3)coc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
IMPDH2 P12268 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ACVR1 Q04771 1/20 0.36
PIK3CD O00329 1/20 0.33
NOTUM Q6P988 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 2/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK14 Q16539 2/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 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
SCHEMBL21295696 0.84 PIN1 (0.41) MAPK1HSD17B10MAPTALDH1A1SMN1; SMN2
SCHEMBL21295661 0.83 PSMD14 (0.44) GSK3BHSD17B10MAPTLMNAALDH1A1
SCHEMBL21295636 0.75 MAPK14 (0.39) GSK3BIMPDH2MAPK1HSD17B10PIK3CD
SCHEMBL21295629 0.73 ACVR1 (0.42) GSK3BIMPDH2MAPK1HSD17B10ACVR1
SCHEMBL9126332 0.72 ALDH1A1 (0.47) MAPK1HSD17B10MAPTLMNAALDH1A1
SCHEMBL1720040 0.70 HSD17B10 (0.43) GSK3BIMPDH2MAPK1HSD17B10ACVR1
SCHEMBL2214831 0.70 GPR84 (0.33)
SCHEMBL28745669 0.69 PIK3CD (0.45) GSK3BIMPDH2MAPK1HSD17B10PIK3CD
SCHEMBL28567776 0.68 RAB9A (0.38) IMPDH2MAPK1HSD17B10PIK3CDNOTUM
SCHEMBL21295602 0.67 CYP1A2 (0.32)

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