SCHEMBL29550976

SCHEMBL29550976

Clc1nc(Cl)nc(-c2cccc3c2oc2ccccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
PRKDC P78527 4/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
AHR P35869 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 2/20 0.37
GGPS1 O95749 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL25437788 1.00 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL17470491 1.00 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL16637130 0.97 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL29633038 0.91 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL16637323 0.91 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL23080003 0.91 ALOX5 (0.52) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL16636998 0.90 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL29603481 0.90 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL26448564 0.90 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBAHR
SCHEMBL27284445 0.90 ALOX5 (0.51) ALOX5PRKDCPIK3CDPIK3CBAHR

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
WO-2024153107-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND USE THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE 北京鼎材科技有限公司 2024-07-25 WO disclosed
CN-118359550-A Compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2024-07-19 CN disclosed
WO-2023101320-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2023-06-08 WO disclosed
US-11309511-B2 Organic electroluminescence device and nitrogen-containing compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2022-04-19 US disclosed