SCHEMBL16613374

SCHEMBL16613374

c1ccc2c(-c3nc(-n4c5ccccc5c5c6ccccc6ccc54)nc4ccoc34)cccc2c1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
RORC P51449 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
BCHE P06276 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16613389 0.96 PIK3CD (0.30) PIK3CDPIK3CARORC
SCHEMBL16613763 0.91 TUBB4A (0.35) PIK3CDPIK3CARORCALDH1A1MAPT
SCHEMBL16613375 0.90 KDM4E (0.32) PIK3CDPIK3CARORCALDH1A1MAPT
SCHEMBL16613376 0.90 PIK3CD (0.32) PIK3CDPIK3CARORCALDH1A1MAPT
SCHEMBL16613329 0.89 KDM4E (0.33) RORCALDH1A1HPGDKDM4ETSHR
SCHEMBL16613305 0.87 HPGD (0.36) PIK3CDPIK3CARORCALDH1A1MAPT
SCHEMBL16613355 0.87 PRKDC (0.33) PIK3CDPIK3CA
SCHEMBL16613390 0.86
SCHEMBL16613764 0.86 TUBB4A (0.34) PIK3CDPIK3CARORCALDH1A1MAPT
SCHEMBL16613306 0.85 ALDH1A1 (0.35) PIK3CDPIK3CARORCALDH1A1MAPT

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