SCHEMBL3630355

SCHEMBL3630355

CN(C)C(=O)Nc1ccc(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
PIK3CB P42338 3/20 0.39
MTOR P42345 3/20 0.39
PIK3CG P48736 3/20 0.39
F10 P00742 6/20 0.38
F13A1 P00488 2/20 0.38
TGM2 P21980 2/20 0.38
TGM1 P22735 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37
TGM3 Q08188 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CCNE2 O96020 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
SCHEMBL3627322 0.87 F10 (0.39) PIK3CBMTORPIK3CGF10MEN1
SCHEMBL3629011 0.85 GBA1 (0.44) PIK3CBPIK3CGF10MEN1KMT2A
SCHEMBL3091559 0.85 PIK3CG (0.46) PIK3CBMTORPIK3CGMEN1KMT2A
SCHEMBL3629695 0.81 MAPT (0.44) PIK3CBPIK3CGF10MEN1KMT2A
SCHEMBL3635713 0.81 HCRTR1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3084310 0.76 PIK3CA (0.41) PIK3CBMTORPIK3CGMAPTPIK3CA
SCHEMBL3633555 0.75 SLC6A7 (0.44) F10MEN1KMT2AMAPTALDH1A1
SCHEMBL3095681 0.75 PIK3CG (0.47) PIK3CBMTORPIK3CGMEN1KMT2A
SCHEMBL3630265 0.75 F10 (0.37) PIK3CBPIK3CGF10MAPTKDM4E
SCHEMBL14021969 0.74 GBA1 (0.43) PIK3CBMTORPIK3CGMEN1KMT2A

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