SCHEMBL21295750

SCHEMBL21295750

[c]1ccc2sc3c(-c4ccccc4)cccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
LIMK1 P53667 3/20 0.40
PARP14 Q460N5 1/20 0.37
F9 P00740 1/20 0.36
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SLC9A1 P19634 1/20 0.33
PRKDC P78527 4/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRDT Q58F21 1/20 0.32
MCL1 Q07820 1/20 0.32
GPR3 P46089 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL21295599 0.88 ALOX5 (0.46) ALOX5LIMK1PARP14F9TNKS
SCHEMBL21296094 0.87 ALOX5 (0.40) ALOX5LIMK1PARP14PRKDCPIK3CD
SCHEMBL21296044 0.83 ALOX5 (0.40) ALOX5LIMK1CYP17A1CYP1A2
SCHEMBL15987505 0.82 ALOX5 (0.56) ALOX5LIMK1PARP14F9TNKS
SCHEMBL2810404 0.81 ALOX5 (0.63) ALOX5LIMK1PARP14F9TNKS
SCHEMBL29362337 0.81 ALOX5 (0.63) ALOX5LIMK1PARP14F9TNKS
SCHEMBL15953266 0.81 ALOX5 (0.52) ALOX5LIMK1PARP14F9TNKS
SCHEMBL21295965 0.79 KRAS (0.39) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL18435735 0.78 ALOX5 (0.64) ALOX5LIMK1PARP14F9TNKS
SCHEMBL17117671 0.78 ALOX5 (0.64) ALOX5LIMK1PARP14F9TNKS

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