SCHEMBL21295736

SCHEMBL21295736

[c]1ccc2c(-c3cccnc3)csc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.42
TAB1 Q15750 1/20 0.42
CYP2A6 P11509 8/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2B6 P20813 4/20 0.42
CYP2E1 P05181 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
DYRK1A Q13627 2/20 0.41
DYRK1B Q9Y463 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
GPR35 Q9HC97 2/20 0.39
CYP19A1 P11511 4/20 0.39
CYP11B1 P15538 1/20 0.39
AXL P30530 1/20 0.39
PBRM1 Q86U86 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL28588303 0.88 CYP2A6 (0.45) MAP3K7TAB1CYP2A6CYP3A4CYP2C9
SCHEMBL21295863 0.83 MAPT (0.38) MAP3K7TAB1DYRK1AALDH1A1CYP1A2
SCHEMBL21295919 0.81 ERN1 (0.34) MAP3K7TAB1CYP2A6CYP3A4CYP2B6
SCHEMBL21295825 0.80 CYP11B1 (0.51) MAP3K7TAB1CYP2A6CYP3A4CYP2C9
SCHEMBL21295933 0.78 CYP2A6 (0.54) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL6985848 0.76 DYRK1A (0.50) MAP3K7TAB1CYP2A6CYP3A4CYP2C9
SCHEMBL21296065 0.75 ALOX5 (0.40) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL6984271 0.75 NPC1 (0.52) MAP3K7TAB1CYP2A6CYP3A4CYP2C9
SCHEMBL9958037 0.74 CYP2A6 (0.52) CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1
SCHEMBL6985095 0.73 CYP11B1 (0.45) MAP3K7TAB1CYP2A6CYP3A4CYP2C9

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