SCHEMBL113560

SCHEMBL113560

COc1ncc(Nc2ncc(CC=O)nc2-c2cc([S+](C)[O-])nc(C)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.49
PIK3R1 P27986 7/20 0.41
MTOR P42345 3/20 0.40

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
SCHEMBL114877 0.86 PIK3CA (0.66) PIK3CAPIK3R1MTOR
SCHEMBL115032 0.84 PIK3CA (0.51) PIK3CAPIK3R1MTOR
SCHEMBL113559 0.83 PIK3CA (0.53) PIK3CAPIK3R1MTOR
SCHEMBL116104 0.71 PIK3CA (0.67) PIK3CAPIK3R1MTOR
SCHEMBL114333 0.70 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL116051 0.69 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL114876 0.68 PIK3CA (0.71) PIK3CAPIK3R1MTOR
SCHEMBL113402 0.68 PIK3CA (0.55) PIK3CAPIK3R1MTOR
SCHEMBL114471 0.67 PIK3CA (0.70) PIK3CAPIK3R1MTOR
SCHEMBL3108137 0.67 PIK3CA (0.74) PIK3CAPIK3R1MTOR

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