SCHEMBL21890983

SCHEMBL21890983

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.45
ALOX5 P09917 2/20 0.44
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
AHR P35869 1/20 0.35
PARP14 Q460N5 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL25645948 0.99 PRKDC (0.45) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL25947154 0.99 PRKDC (0.45) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL24318138 0.98 PRKDC (0.44) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL22135492 0.98 PRKDC (0.44) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL21784882 0.97 PRKDC (0.46) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL26080584 0.97 PRKDC (0.43) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL24264112 0.96 PRKDC (0.43) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL24264255 0.96 PRKDC (0.43) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL23349741 0.96 PRKDC (0.47) PRKDCALOX5PIK3CDPIK3CBBRD4
SCHEMBL22330037 0.95 PRKDC (0.44) PRKDCALOX5PIK3CDPIK3CBBRD4

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-2020071863-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-04-09 WO disclosed