SCHEMBL4445862

SCHEMBL4445862

CN(Cc1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1)C(=O)C1CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.76
MTOR P42345 2/20 0.76
PIK3CD O00329 18/20 0.65
PIK3CB P42338 18/20 0.65
PIK3CG P48736 18/20 0.65

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
SCHEMBL4438937 0.95 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4446009 0.92 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1180821 0.87 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4440777 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181049 0.85 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4555906 0.85 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4555880 0.85 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4441165 0.84 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4445519 0.84 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4440525 0.83 PIK3CA (0.53) 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-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed