SCHEMBL23339102

SCHEMBL23339102

c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.38
ALOX5 P09917 1/20 0.33
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
LIMK1 P53667 1/20 0.30

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
SCHEMBL23339101 0.96 PRKDC (0.37) PRKDCALOX5
SCHEMBL23340039 0.96 PRKDC (0.37) PRKDCALOX5
SCHEMBL23339737 0.94 PRKDC (0.37) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL23339741 0.93 PRKDC (0.38) PRKDCALOX5PIK3CDPIK3CBLIMK1
SCHEMBL23340047 0.92 PRKDC (0.40) PRKDCALOX5
SCHEMBL23259281 0.92 PRKDC (0.33) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL17524786 0.92 PRKDC (0.32) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL27325218 0.92 PRKDC (0.35) PRKDC
SCHEMBL22737764 0.90 PRKDC (0.41) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL23339897 0.89 PRKDC (0.38) PRKDCALOX5PIK3CDPIK3CBLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024080856-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-04-18 WO disclosed
WO-2021085969-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2021-05-06 WO disclosed