SCHEMBL21296097

SCHEMBL21296097

[c]1coc2cc(-c3cccnc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.49
CYP2A6 P11509 4/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 7/20 0.46
CYP17A1 P05093 3/20 0.46
MEN1 O00255 1/20 0.44
PSIP1 O75475 1/20 0.44
AXL P30530 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PGR P06401 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
FGFR1 P11362 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL21295620 0.88 MEN1 (0.47) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL21295900 0.80 DYRK1A (0.46) CYP19A1ERN1
SCHEMBL21296150 0.77 CYP2A6 (0.46) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL21295670 0.72 KDM4E (0.39) CYP19A1CYP2A6ALDH1A1CYP1A2CYP2C9
SCHEMBL30620885 0.69 CYP2A6 (0.79) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL12103445 0.69 CYP2A6 (0.79) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL17951830 0.69 CYP2A6 (0.79) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1602946 0.69 DYRK1A (0.67) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL6741783 0.69 CYP19A1 (0.49) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL24534338 0.69 CYP2A6 (0.88) CYP19A1CYP2A6CYP3A4ALDH1A1CYP1A2

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