SCHEMBL21295620

SCHEMBL21295620

[c]1coc2ccc(-c3cccnc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CYP2A6 P11509 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 7/20 0.46
CYP19A1 P11511 4/20 0.46
CYP17A1 P05093 2/20 0.46
PGR P06401 1/20 0.46
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
PIK3CD O00329 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41

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
SCHEMBL21296097 0.88 CYP19A1 (0.49) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL21295639 0.80 PGR (0.40) MEN1CYP3A4ALDH1A1PGR
SCHEMBL1602946 0.72 DYRK1A (0.67) CYP2A6CYP1A2CYP3A4ALDH1A1CYP11B1
SCHEMBL21295762 0.72 PIK3CD (0.41) CYP2A6CYP1A2ALDH1A1CYP19A1PIK3CD
SCHEMBL14733823 0.71 CYP1A2 (0.56) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL29293277 0.70 CYP19A1 (0.54) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL30620885 0.69 CYP2A6 (0.79) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL17951830 0.69 CYP2A6 (0.79) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL12103445 0.69 CYP2A6 (0.79) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL21295823 0.69 CYP2A6 (0.42) MEN1PSIP1AXLMKNK1MKNK2

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