SCHEMBL248170

SCHEMBL248170

COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(N3CC(C)(C)CCC3=O)nc3cc(F)cc(F)c23)c1.Cc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1Br

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.48
PIK3CD O00329 1/20 0.34

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
SCHEMBL248271 0.96 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL246449 0.90 PIK3CA (0.49) PIK3CAPIK3CD
SCHEMBL248991 0.88 PIK3CA (0.45) PIK3CAPIK3CD
SCHEMBL247505 0.87 PIK3CA (0.47) PIK3CAPIK3CD
SCHEMBL245634 0.87 PIK3CA (0.47) PIK3CAPIK3CD
SCHEMBL248796 0.82 PIK3CA (0.53) PIK3CAPIK3CD
SCHEMBL245564 0.81 PIK3CD (0.42) PIK3CAPIK3CD
SCHEMBL247498 0.80 PIK3CA (0.53) PIK3CAPIK3CD
SCHEMBL247889 0.80 PIK3CA (0.49) PIK3CAPIK3CD
SCHEMBL248910 0.79 PIK3CA (0.51) PIK3CAPIK3CD

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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed