SCHEMBL16613394

SCHEMBL16613394

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-c2cccc3c2sc2ccccc23)c2cocc2n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
ALOX5 P09917 1/20 0.31
ADK P55263 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
SCHEMBL14233145 0.90 ALOX5 (0.33) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL16613388 0.90 PRKDC (0.36) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL16613287 0.87 ALDH1A1 (0.31)
SCHEMBL16613483 0.86 ADK (0.32) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL16613355 0.86 PRKDC (0.33) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL16613350 0.85
SCHEMBL17286878 0.85 ALOX5 (0.35) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL24030472 0.83 ALOX5 (0.31) PRKDCALOX5
SCHEMBL16613269 0.83
SCHEMBL16613629 0.83 PIK3CD (0.32) 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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed