SCHEMBL21295732

SCHEMBL21295732

[c]1cccc2sc3cc(-c4ccccn4)ccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
KDM4E B2RXH2 5/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
RET P07949 2/20 0.36
MIF P14174 1/20 0.36
GABRA1 P14867 1/20 0.36
PDK2 Q15119 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL21295960 0.89 PIK3CD (0.43) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL12395600 0.81 PIK3CD (0.54) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL21295835 0.81 MIF (0.43) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL21295765 0.80 LIMK1 (0.40) PIK3CAPI4KAPIK3CGPI4KBRAB9A
SCHEMBL21295885 0.79 LIMK1 (0.43) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL21295884 0.77 PIK3CD (0.47) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL13507090 0.76 PIK3CD (0.51) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL21742628 0.74 PIK3CD (0.47) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL21295770 0.74 KDM4E (0.38) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL21295913 0.73 KRAS (0.41) KDM4ERAB9ANPC1ALDH1A1TP53

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