SCHEMBL21295863

SCHEMBL21295863

[c]1ccc2c(-c3ccncc3)csc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.33
MAPK14 Q16539 2/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
AURKA O14965 1/20 0.31
KDR P35968 1/20 0.31
AURKB Q96GD4 1/20 0.31
HSD17B10 Q99714 2/20 0.31
IMPDH2 P12268 1/20 0.31
MAPK1 P28482 1/20 0.31
NFATC1 O95644 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL28573352 0.86 MAPT (0.41) MAPTNPC1RAB9AGFERSMN1; SMN2
SCHEMBL21295919 0.84 ERN1 (0.34) LMNAMAPK14CYP17A1CYP1A2MAP3K7
SCHEMBL21295736 0.83 MAP3K7 (0.42) NPC1RAB9ACYP1A2MAP3K7TAB1
SCHEMBL21295948 0.76 MAPK14 (0.39) MAPTNPC1RAB9AGFERSMN1; SMN2
SCHEMBL28573327 0.74 KDM4E (0.38) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21295936 0.74 CYP2A6 (0.47) MAPTNPC1RAB9AGFERSMN1; SMN2
SCHEMBL6448219 0.72 DYRK1A (0.41) DYRK1A
SCHEMBL21295709 0.72 PIK3CD (0.35) NPC1RAB9AIMPDH2PIK3CD
SCHEMBL21295845 0.72 ALOX5 (0.40) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9958013 0.71 MAPT (0.43) MAPTNPC1RAB9AGFERSMN1; 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