SCHEMBL247272

SCHEMBL247272

Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(NC(=O)O)nc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.48
PIK3CD O00329 1/20 0.39
MAPT P10636 1/20 0.34
MTOR P42345 2/20 0.34
PIK3CB P42338 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK14 Q16539 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
SCHEMBL247681 0.92 PIK3CA (0.45) PIK3CAPIK3CDMAPTMTORPIK3CB
SCHEMBL246539 0.91 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL247193 0.90 PIK3CA (0.45) PIK3CAPIK3CDMAPTMTOR
SCHEMBL248451 0.90 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL14840540 0.90 PIK3CA (0.43) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL249015 0.89 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL248614 0.89 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL246549 0.88 PIK3CA (0.47) PIK3CAPIK3CDMTOR
SCHEMBL253321 0.88 PIK3CA (0.43) PIK3CAPIK3CDMTORPIK3CB
SCHEMBL248910 0.87 PIK3CA (0.51) PIK3CAPIK3CDMTOR

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