SCHEMBL16612947

SCHEMBL16612947

COc1ccc(COCc2cnc(-n3ccc4c(N)cccc43)c(-c3nc(C)nc4[nH]cnc34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.46
MTOR P42345 6/20 0.37
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CSF1R P07333 1/20 0.31
ROCK1 Q13464 2/20 0.31

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
SCHEMBL16613045 0.77 PIK3CA (0.35) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114392 0.73 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114387 0.63 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL169800 0.62 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL16612783 0.62 PIK3CA (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114698 0.61 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL114558 0.61 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL166335 0.60 PIK3CA (0.63) PIK3CAMTOR
SCHEMBL16613065 0.59 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL115796 0.58 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP claimed