SCHEMBL6997200

SCHEMBL6997200

Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(O)c(O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.69
PIK3CA P42336 1/20 0.69
PIK3CB P42338 1/20 0.69
PIK3CG P48736 1/20 0.69
TTR P02766 1/20 0.69
CTNNB1 P35222 1/20 0.65
MAPT P10636 13/20 0.65
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
GAA P10253 6/20 0.63
USP2 O75604 1/20 0.63
PKM P14618 1/20 0.63
APAF1 O14727 1/20 0.63
CASP6 P55212 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KDM4E B2RXH2 6/20 0.61
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 2/20 0.60

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
SCHEMBL2738213 0.90 CTNNB1 (0.78) PIK3CDPIK3CAPIK3CBPIK3CGCTNNB1
SCHEMBL6997212 0.88 CTNNB1 (0.65) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1792865 0.88 CTNNB1 (0.86) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1788590 0.88 APAF1 (0.81) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1791652 0.88 TTR (0.81) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1793277 0.87 MAPT (0.77) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1789260 0.86 MAPT (0.77) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1789298 0.86 MAPT (0.76) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1792556 0.86 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGTTR
SCHEMBL1788909 0.84 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGTTR

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-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed