SCHEMBL21296098

SCHEMBL21296098

[c]1cc2cc(-c3cccnc3)ccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.54
CYP11B1 P15538 9/20 0.54
CYP19A1 P11511 7/20 0.54
CYP17A1 P05093 4/20 0.54
PIK3CD O00329 1/20 0.48
PIP5K1C O60331 1/20 0.48
PIK3CA P42336 1/20 0.48
PI4KA P42356 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
CYP2A6 P11509 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
FGFR1 P11362 1/20 0.44
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

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
SCHEMBL21295815 0.88 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1CYP17A1PIK3CD
SCHEMBL21295821 0.80 PIK3CD (0.46) CYP11B2CYP11B1CYP19A1CYP17A1PIK3CD
SCHEMBL144352 0.80 F9 (0.42) PIK3CAPI4KAPI4KBALDH1A1FGFR1
SCHEMBL26260198 0.75 CYP11B2 (0.88) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL18253177 0.74 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1CYP17A1PIK3CD
SCHEMBL26260221 0.74 CYP11B2 (0.85) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL28914083 0.72 PIK3CD (0.48) CYP19A1PIK3CDPIK3CAPI4KAPI4KB
SCHEMBL20895124 0.71 PGR (0.38) ALDH1A1PGR
SCHEMBL4510935 0.71 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6
SCHEMBL27895115 0.71 CYP11B2 (0.85) CYP11B2CYP11B1CYP19A1CYP17A1CYP2A6

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