SCHEMBL3627366

SCHEMBL3627366

CS(=O)(=O)CCNC1CCN(c2cnc3ccc(-c4cncc(-c5ccccc5S(N)(=O)=O)c4)cc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.43
PIK3CA P42336 6/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP11B2 P19099 2/20 0.34
PIK3CB P42338 4/20 0.34
MTOR P42345 4/20 0.34
PIK3CG P48736 4/20 0.34
PIK3CD O00329 3/20 0.34
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
PRKDC P78527 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
CKS1B P61024 1/20 0.33

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
SCHEMBL3090583 0.81 PIK3CA (0.46) SMOPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3634324 0.79 PIK3CA (0.43) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL3627322 0.78 F10 (0.39) PIK3CACYP11B2PIK3CBMTORPIK3CG
SCHEMBL3080404 0.76 SMO (0.49) SMOPIK3CATLR9TLR8TLR7
SCHEMBL3635713 0.76 HCRTR1 (0.51) PIK3CA
SCHEMBL3629011 0.74 GBA1 (0.44) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL3629695 0.73 MAPT (0.44) PIK3CACYP11B2PIK3CBPIK3CGPIK3CD
SCHEMBL3633555 0.73 SLC6A7 (0.44)
SCHEMBL3630355 0.73 PIK3CB (0.39) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL3087863 0.69 PIK3CB (0.46) PIK3CACYP11B2PIK3CBMTORPIK3CG

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