SCHEMBL4445652

SCHEMBL4445652

Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4cccc(CCO)c4)cc3n2)cn1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.68
PIK3CA P42336 18/20 0.66
PIK3CB P42338 9/20 0.61
PIK3CD O00329 9/20 0.61
PIK3CG P48736 9/20 0.61
SYK P43405 1/20 0.61
MAP3K9 P80192 1/20 0.61
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
PIK3R1 P27986 1/20 0.51
AKT1 P31749 1/20 0.50

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
SCHEMBL4438742 0.95 MTOR (0.66) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4437404 0.92 MTOR (0.58) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4438960 0.90 MTOR (0.71) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4438418 0.87 MTOR (0.57) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4439836 0.87 MTOR (0.77) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4447622 0.86 MTOR (0.76) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4437569 0.86 PIK3CA (0.64) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4440511 0.85 PIK3CA (0.67) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4437642 0.85 MTOR (0.60) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL4437397 0.85 MTOR (0.68) MTORPIK3CAPIK3CBPIK3CDPIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP claimed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO claimed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed