SCHEMBL16612969

SCHEMBL16612969

COc1ncc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1CN[SH](=O)=O

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.75
PIK3CD O00329 8/20 0.68
PIK3CB P42338 8/20 0.68
PIK3CG P48736 8/20 0.68
MTOR P42345 4/20 0.62
PIK3R1 P27986 3/20 0.61

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
SCHEMBL16612945 0.89 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL114249 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL163693 0.85 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL16613019 0.82 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL114941 0.81 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL16613082 0.80 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL167274 0.77 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL169232 0.76 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL117067 0.75 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL117066 0.75 PIK3CA (1.00) 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-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP claimed