SCHEMBL19142153

SCHEMBL19142153

CN(CCc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)S(C)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.72
PIK3CD O00329 14/20 0.72
PIK3CB P42338 12/20 0.72
PIK3CG P48736 12/20 0.72
MTOR P42345 2/20 0.72
PIK3C2A O00443 1/20 0.72
PLK4 O00444 1/20 0.72
PIK3R2 O00459 1/20 0.72
PIK3C2B O00750 1/20 0.72
GAK O14976 1/20 0.72
EPHB6 O15197 1/20 0.72
DAPK3 O43293 1/20 0.72
STK16 O75716 1/20 0.72
PIK3C2G O75747 1/20 0.72
NTRK1 P04629 1/20 0.72
NQO2 P16083 1/20 0.72
CSNK2A2 P19784 1/20 0.72
JAK1 P23458 1/20 0.72
PIK3R1 P27986 1/20 0.72
TYK2 P29597 1/20 0.72

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
SCHEMBL1860392 0.92 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19171575 0.87 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1859743 0.87 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1863175 0.87 PIK3CA (0.78) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1861954 0.85 PIK3CA (0.86) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1861459 0.85 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1861664 0.85 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12629407 0.85 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1859572 0.85 PIK3CA (0.77) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1859301 0.84 PIK3CA (0.86) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed