SCHEMBL4445879

SCHEMBL4445879

COc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCN(C[C@H](O)C=O)CC4)c(C)c3n2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.63
MTOR P42345 12/20 0.63
PIK3CD O00329 10/20 0.63
PIK3CB P42338 10/20 0.63
PIK3CG P48736 10/20 0.63
PIK3C2A O00443 1/20 0.63
PIK3C2B O00750 1/20 0.63
STK10 O94804 1/20 0.63
PAK4 O96013 1/20 0.63
ABL1 P00519 1/20 0.63
EGFR P00533 1/20 0.63
FGR P09769 1/20 0.63
FER P16591 1/20 0.63
PRKCA P17252 1/20 0.63
JAK1 P23458 1/20 0.63
TEC P42680 1/20 0.63
SYK P43405 1/20 0.63
PRKDC P78527 1/20 0.63
MAP3K9 P80192 1/20 0.63
BTK Q06187 1/20 0.63

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
SCHEMBL4437452 0.91 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3458050 0.91 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL466347 0.91 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4440454 0.91 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4440237 0.90 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4439825 0.89 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4442373 0.89 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181001 0.87 PIK3CA (0.83) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4441726 0.87 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181002 0.87 PIK3CA (0.83) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed