SCHEMBL115874

SCHEMBL115874

COc1ccc(Nc2ncc(CCN3CCN(S(C)(=O)=O)CC3)nc2-c2cc(N)nc(C)n2)cn1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.70
MTOR P42345 9/20 0.70
PIK3CD O00329 5/20 0.56
PIK3CB P42338 5/20 0.56
PIK3CG P48736 5/20 0.56
PIK3C2B O00750 1/20 0.56
PIK3R1 P27986 1/20 0.56
PI4KB Q9UBF8 1/20 0.56

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
SCHEMBL114471 0.86 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114784 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114530 0.81 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114333 0.78 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL115028 0.74 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114332 0.73 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL115423 0.73 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL117021 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3804244 0.70 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL112661 0.69 PIK3CA (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP claimed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO claimed