SCHEMBL13558014

SCHEMBL13558014

CNc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(=O)CO)CC4)c(C)c3n2)cn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.82
PIK3CD O00329 10/20 0.82
PIK3CB P42338 10/20 0.82
PIK3CG P48736 10/20 0.82
MTOR P42345 11/20 0.72
PIK3C2A O00443 1/20 0.66
PIK3C2B O00750 1/20 0.66
STK10 O94804 1/20 0.66
PAK4 O96013 1/20 0.66
ABL1 P00519 1/20 0.66
EGFR P00533 1/20 0.66
FGR P09769 1/20 0.66
FER P16591 1/20 0.66
PRKCA P17252 1/20 0.66
JAK1 P23458 1/20 0.66
TEC P42680 1/20 0.66
SYK P43405 1/20 0.66
PRKDC P78527 1/20 0.66
MAP3K9 P80192 1/20 0.66
BTK Q06187 1/20 0.66

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
SCHEMBL1180687 0.90 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL13558058 0.90 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL13557986 0.90 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1180682 0.89 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1180683 0.89 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL13557987 0.88 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181071 0.87 PIK3CA (0.84) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL8212436 0.85 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181544 0.85 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4442373 0.85 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed