SCHEMBL115505

SCHEMBL115505

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CCN4CCOCC4)cnc3Nc3cnc(OC)c(F)c3)nc(C)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.56
MTOR P42345 3/20 0.45
PIK3R1 P27986 2/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44

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
SCHEMBL115504 0.86 PIK3CA (0.70) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL114964 0.85 AVPR1B (0.38) PIK3CA
SCHEMBL167612 0.81 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL114370 0.78 PIK3CA (0.66) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL115993 0.77 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL3116321 0.74 PIK3CA (0.73) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL166354 0.74 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL166355 0.74 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL165802 0.74 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL114164 0.73 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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 disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed