SCHEMBL16613392

SCHEMBL16613392

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6c5sc5ccccc56)c5occc5n4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
PRKDC P78527 5/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 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

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
SCHEMBL15583017 0.89 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL16613666 0.89 PRKDC (0.37) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL16613631 0.88 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL16613473 0.86 KDM4E (0.36) PIK3CDKDM4EATML3MBTL1PTGER4
SCHEMBL16785809 0.85 ALOX5 (0.39) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16613308 0.85 KDM4E (0.37) PIK3CDKDM4EATML3MBTL1PTGER4
SCHEMBL16785810 0.84 ALOX5 (0.40) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL22893867 0.83 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL16613399 0.83 KDM4E (0.40) PIK3CDKDM4EATML3MBTL1PTGER4
SCHEMBL16613472 0.83 KDM4E (0.35) PIK3CDKDM4EATML3MBTL1PTGER4

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