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SCHEMBL22989173

SCHEMBL22989173

c1ccc2c(c1)oc1c(-c3cccc4c3sc3ccccc34)nc(-c3ccc(-n4c5ccc6cccc7sc8cccc9ccc4c(c98)c5c67)c4ccccc34)cc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 5/20 0.34
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ BRDT Q58F21 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
SCHEMBL22988993 0.96 PRKDC (0.35) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL22989213 0.85 PRKDC (0.33) PRKDCPIK3CDPIK3CB
SCHEMBL22989002 0.81 PRKDC (0.33) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL22989089 0.79 CYP1A2 (0.35) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL22989037 0.79 PRKDC (0.36) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL22989088 0.78 ALOX5 (0.33) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL22989077 0.77 ALOX5 (0.31) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL22989053 0.76 CYP1A1 (0.32) —
SCHEMBL22989050 0.76 ALOX5 (0.33) PRKDCALOX5
SCHEMBL22989009 0.76 PRKDC (0.34) PRKDCPIK3CDPIK3CBALOX5

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 — — WO disclosed