SCHEMBL3627322

SCHEMBL3627322

CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnc4ccc(-c5cncc(-c6ccccc6S(N)(=O)=O)c5)cc4n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
PIK3CA P42336 5/20 0.39
PIK3CB P42338 4/20 0.39
MTOR P42345 4/20 0.39
PIK3CG P48736 4/20 0.39
PIK3CD O00329 3/20 0.39
GBA1 P04062 3/20 0.38
PTPN11 Q06124 1/20 0.38
CYP11B2 P19099 1/20 0.38
TNF P01375 1/20 0.37
PRKDC P78527 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
GCK P35557 1/20 0.36

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 0.91 GBA1 (0.44) F10PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL3630355 0.87 PIK3CB (0.39) F10PIK3CAPIK3CBMTORPIK3CG
SCHEMBL3629695 0.87 MAPT (0.44) F10PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL3635713 0.86 HCRTR1 (0.51) PIK3CAGBA1MEN1KMT2A
SCHEMBL3079976 0.80 PIK3CA (0.47) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL3630265 0.80 F10 (0.37) F10PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL14021851 0.79 PIK3CA (0.39) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL3627366 0.78 SMO (0.43) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL3633555 0.77 SLC6A7 (0.44) F10MEN1KMT2A
SCHEMBL3628462 0.77 GBA1 (0.41) PIK3CAPIK3CBPIK3CGPIK3CDGBA1

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