SCHEMBL6995384

SCHEMBL6995384

CO[N+](=O)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.65
▸ PIK3CA P42336 2/20 0.65
▸ PIK3CB P42338 2/20 0.65
▸ PIK3CG P48736 2/20 0.65
▸ MAPT P10636 11/20 0.55
▸ MEN1 O00255 10/20 0.55
▸ KMT2A Q03164 10/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ HTT P42858 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SAE1 Q9UBE0 1/20 0.49
▸ UBA2 Q9UBT2 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.46

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
SCHEMBL15256304 0.88 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1791900 0.88 MEN1 (0.72) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL12292679 0.85 MAPT (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL14546814 0.84 MAPT (0.66) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL14053013 0.83 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL22225686 0.81 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL1792641 0.79 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL12292669 0.79 MEN1 (0.52) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL22225682 0.79 PIK3CG (0.69) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL22225674 0.77 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGMAPT

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-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 — — WO disclosed
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