SCHEMBL166335

SCHEMBL166335

COc1cccc(NCc2cnc(Nc3cccnc3OC)c(-c3nc(C)nc4[nH]cnc34)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.63
MTOR P42345 6/20 0.53

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
SCHEMBL169800 0.92 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL114698 0.85 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL115793 0.78 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL115796 0.78 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL114387 0.78 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL114724 0.77 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL116049 0.75 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL115451 0.74 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL114829 0.73 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL114558 0.73 PIK3CA (0.80) PIK3CAMTOR

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