SCHEMBL245637

SCHEMBL245637

Cc1c(N2CC(C)(C)CC2=O)nc2ccc(F)c(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(N)nc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.44
PIK3R1 P27986 2/20 0.35
ALOX5AP P20292 3/20 0.35
FEN1 P39748 2/20 0.34
CNR2 P34972 1/20 0.34
MTOR P42345 2/20 0.34
AKT1 P31749 1/20 0.34
SYK P43405 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL247498 0.90 PIK3CA (0.53) PIK3CA
SCHEMBL248796 0.84 PIK3CA (0.53) PIK3CA
SCHEMBL253268 0.82 PIK3CA (0.48) PIK3CA
SCHEMBL245632 0.82 PIK3CA (0.49) PIK3CA
SCHEMBL248614 0.81 PIK3CA (0.51) PIK3CA
SCHEMBL246258 0.81 PIK3CA (0.48) PIK3CA
SCHEMBL246449 0.80 PIK3CA (0.49) PIK3CA
SCHEMBL246547 0.80 PIK3CA (0.47) PIK3CA
SCHEMBL249015 0.78 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL248802 0.78 PIK3CA (0.47) PIK3CA

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