SCHEMBL23819556

SCHEMBL23819556

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7c6sc6cc8ccccc8cc67)cccc5c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ MAPT P10636 7/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33

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
SCHEMBL23816320 0.93 ALOX5 (0.34) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL23820600 0.92 PIK3CD (0.33) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL25668701 0.89 TERT (0.34) PRKDCPIK3CDPIK3CBMAPTALDH1A1
SCHEMBL24217160 0.89 PRKDC (0.45) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL23823711 0.88 PRKDC (0.38) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL25458970 0.88 PRKDC (0.38) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL24216050 0.88 PRKDC (0.44) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL23819554 0.87 BRDT (0.37) PRKDCPIK3CDPIK3CABRDTMAPT
SCHEMBL24217203 0.87 PRKDC (0.44) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL24217208 0.86 PRKDC (0.42) PRKDCPIK3CDPIK3CBBRD4PIK3CA

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-2021182833-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-09-16 — — WO disclosed
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