SCHEMBL3630265

SCHEMBL3630265

COc1ccc(S(=O)(=O)N2CCN(c3cnc4ccc(-c5cncc(-c6ccccc6S(N)(=O)=O)c5)cc4n3)C(=O)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.37
GSK3B P49841 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CB P42338 1/20 0.37
P2RX3 P56373 2/20 0.37
GBA1 P04062 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
F2 P00734 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3629011 0.89 GBA1 (0.44) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3083436 0.83 PIK3CB (0.48) PIK3CAPIK3CGPIK3CBGBA1ALDH1A1
SCHEMBL3629695 0.81 MAPT (0.44) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3627322 0.80 F10 (0.39) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3635713 0.80 HCRTR1 (0.51) PIK3CAP2RX3GBA1KDM4EALDH1A1
SCHEMBL3634324 0.78 PIK3CA (0.43) F10PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3633555 0.77 SLC6A7 (0.44) F10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3628462 0.77 GBA1 (0.41) PIK3CDPIK3CAPIK3CGPIK3CBGBA1
SCHEMBL3630355 0.75 PIK3CB (0.39) F10GSK3BPIK3CDPIK3CAPIK3CG
SCHEMBL3098002 0.71 PIK3CB (0.49) PIK3CDPIK3CAPIK3CGPIK3CBGBA1

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
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 WO disclosed