SCHEMBL17039381

SCHEMBL17039381

c1ccc2c(c1)sc1c(-c3nc(-n4c5ccccc5c5ccccc54)n4ccccc34)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 7/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ HIF1A Q16665 2/20 0.36
▸ EPAS1 Q99814 2/20 0.36
▸ PARP14 Q460N5 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ ADK P55263 1/20 0.35
▸ MAPT P10636 1/20 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
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ GPR3 P46089 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PAX8 Q06710 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
SCHEMBL17039395 0.89 PRKDC (0.35) PRKDCALOX5HIF1AEPAS1PARP14
SCHEMBL17039499 0.88 ALOX5 (0.37) PRKDCALOX5HIF1AEPAS1ADK
SCHEMBL17039578 0.80 TUBB4A (0.38) HIF1AEPAS1MAPTDUSP3
SCHEMBL17039373 0.78 TUBB4A (0.36) HIF1AEPAS1MAPTDUSP3
SCHEMBL17039376 0.77 HPGD (0.38) HIF1AEPAS1MAPTCDK8
SCHEMBL10029290 0.76 PARP14 (0.47) PRKDCALOX5PARP14PIK3CDPIK3CB
SCHEMBL23604841 0.74 ALOX5 (0.43) PRKDCALOX5PARP14PIK3CDPIK3CB
SCHEMBL16613388 0.73 PRKDC (0.36) PRKDCALOX5PARP14PIK3CDPIK3CB
SCHEMBL17039575 0.73 KMT2A (0.48) HIF1AEPAS1MAPTHTT
SCHEMBL17039375 0.72 DUSP3 (0.32) HIF1AEPAS1DUSP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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