SCHEMBL4440195

SCHEMBL4440195

Cc1c(CN2CCN(CC(C)(O)C=O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.79
MTOR P42345 16/20 0.79
PIK3CD O00329 12/20 0.79
PIK3CB P42338 12/20 0.79
PIK3CG P48736 12/20 0.79
SYK P43405 2/20 0.74
MAP3K9 P80192 2/20 0.74
PIK3C2A O00443 1/20 0.74
PIK3C2B O00750 1/20 0.74
STK10 O94804 1/20 0.74
PAK4 O96013 1/20 0.74
ABL1 P00519 1/20 0.74
EGFR P00533 1/20 0.74
FGR P09769 1/20 0.74
FER P16591 1/20 0.74
PRKCA P17252 1/20 0.74
JAK1 P23458 1/20 0.74
TEC P42680 1/20 0.74
PRKDC P78527 1/20 0.74
BTK Q06187 1/20 0.74

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
SCHEMBL1182226 0.88 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1182064 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL23296560 0.87 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4435723 0.85 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3458050 0.85 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4440454 0.85 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL466347 0.85 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4448342 0.85 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4445867 0.85 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1181025 0.85 PIK3CA (0.81) 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