SCHEMBL16613355

SCHEMBL16613355

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-c2cccc3c2sc2ccccc23)c2occc2n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 5/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
ALOX5 P09917 1/20 0.31
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30
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
SCHEMBL16613666 0.90 PRKDC (0.37) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL14233145 0.87 ALOX5 (0.33) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL16613374 0.87 PIK3CD (0.31) PIK3CDPIK3CA
SCHEMBL16613394 0.86 PRKDC (0.32) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL16613389 0.85 PIK3CD (0.30) PIK3CDPIK3CA
SCHEMBL16613483 0.84 ADK (0.32) PRKDCPIK3CDPIK3CBALOX5ADK
SCHEMBL16613375 0.82 KDM4E (0.32) PIK3CDPIK3CA
SCHEMBL14232995 0.82 ALOX5 (0.38) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL17286878 0.82 ALOX5 (0.35) PRKDCPIK3CDPIK3CBALOX5BRD4
SCHEMBL16613392 0.82 ALOX5 (0.35) PRKDCPIK3CDPIK3CBALOX5BRD4

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