SCHEMBL16612965

SCHEMBL16612965

Cc1nc(N)cc(-c2cccnc2Nc2cnc(Cl)c(CN[SH](=O)=O)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.67
MTOR P42345 13/20 0.67
PIK3CD O00329 3/20 0.53
PIK3CB P42338 3/20 0.53
PIK3CG P48736 3/20 0.53
PIK3C3 Q8NEB9 1/20 0.49
PIK3R1 P27986 1/20 0.41

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
SCHEMBL16612939 0.86 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16613016 0.84 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13075822 0.82 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114872 0.80 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16613051 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16613018 0.77 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL7772964 0.76 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL116179 0.76 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL116180 0.75 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16613081 0.73 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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