SCHEMBL4065152

SCHEMBL4065152

CC(Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.58
PIK3R1 P27986 5/20 0.58
PIK3CD O00329 12/20 0.53
PIK3CB P42338 9/20 0.53
PIK3CG P48736 9/20 0.53
MTOR P42345 4/20 0.51
PIK3C2A O00443 1/20 0.46
PLK4 O00444 1/20 0.46
PIK3R2 O00459 1/20 0.46
PIK3C2B O00750 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
DAPK3 O43293 1/20 0.46
STK16 O75716 1/20 0.46
PIK3C2G O75747 1/20 0.46
NTRK1 P04629 1/20 0.46
NQO2 P16083 1/20 0.46
CSNK2A2 P19784 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 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
SCHEMBL1181344 0.85 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL189763 0.84 PIK3CA (0.80) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1857333 0.83 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL189669 0.83 PIK3CA (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL190611 0.82 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1181818 0.82 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL25392410 0.81 PIK3CA (0.59) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL4439095 0.79 PIK3CA (0.50) PIK3CAPIK3R1PIK3CDMTORSMN1; SMN2
SCHEMBL191048 0.79 PIK3CD (0.66) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL190258 0.78 PIK3CA (0.59) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed