SCHEMBL28600952

SCHEMBL28600952

[c]1ccccc1-c1ccc2oc3ccc(-c4ccncc4)cc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
PIK3CA P42336 1/20 0.38
PLA2G2A P14555 2/20 0.37
PLA2G4A P47712 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.37
MAP4K4 O95819 1/20 0.36
GSK3B P49841 2/20 0.36
NOTUM Q6P988 1/20 0.35
ALK Q9UM73 1/20 0.35
JAK2 O60674 1/20 0.34
IMPDH2 P12268 1/20 0.34
MAPK14 Q16539 1/20 0.34
AAK1 Q2M2I8 2/20 0.33

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
SCHEMBL28594487 0.85 CYP11B1 (0.43) DYRK1AMKNK1PIK3CACYP19A1MAPT
SCHEMBL28600956 0.84 PLA2G2A (0.36) PLA2G2APLA2G4AMAPT
SCHEMBL28917502 0.84 MAPT (0.38) DYRK1APLA2G2APLA2G4ACYP19A1MAPT
SCHEMBL10324399 0.83 MAPT (0.47) PLA2G2APLA2G4ACYP19A1MAPT
SCHEMBL28596660 0.81 GRM4 (0.36) DYRK1APIK3CACYP19A1MAPTGSK3B
SCHEMBL23331530 0.80 NPC1 (0.50) DYRK1APDE3BPDE3AMKNK1PIK3CA
SCHEMBL23331505 0.80 NPC1 (0.50) DYRK1APDE3BPDE3AMKNK1PIK3CA
SCHEMBL9958407 0.80 NOTUM (0.48) DYRK1AMKNK1PIK3CACYP19A1MAPT
SCHEMBL21296140 0.79 DYRK1A (0.41) DYRK1APDE3BPDE3AMKNK1PIK3CA
SCHEMBL9958649 0.79 NOTUM (0.50) DYRK1AMKNK1PIK3CAMAPTMAP4K4

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 1 patent. 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