SCHEMBL8204295

SCHEMBL8204295

Cc1ccc(-c2nc(N3CCOCC3)c3cc(CN4CCN(C(=O)[C@H](C)O)CC4)sc3n2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.65
PIK3CB P42338 14/20 0.65
PIK3CD O00329 11/20 0.56
PIK3CG P48736 7/20 0.56
MTOR P42345 6/20 0.56
PIK3C2A O00443 1/20 0.56
PIK3C2B O00750 1/20 0.56
STK10 O94804 1/20 0.56
PAK4 O96013 1/20 0.56
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
FGR P09769 1/20 0.56
FER P16591 1/20 0.56
PRKCA P17252 1/20 0.56
JAK1 P23458 1/20 0.56
TEC P42680 1/20 0.56
SYK P43405 1/20 0.56
PRKDC P78527 1/20 0.56
MAP3K9 P80192 1/20 0.56
BTK Q06187 1/20 0.56

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
SCHEMBL1181130 0.91 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1181134 0.91 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1182028 0.91 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1182030 0.91 PIK3CA (0.63) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1181241 0.89 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1181242 0.89 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1181496 0.89 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180695 0.89 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180698 0.89 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL13558057 0.89 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGMTOR

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