SCHEMBL4436359

SCHEMBL4436359

Nc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(CC=O)c4)cc3n2)cn1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.60
PIK3CA P42336 19/20 0.57
PIK3CD O00329 6/20 0.57
PIK3CG P48736 6/20 0.57
PIK3CB P42338 6/20 0.57
PIK3R1 P27986 3/20 0.56
SYK P43405 1/20 0.49
MAP3K9 P80192 1/20 0.49
PARP1 P09874 1/20 0.46

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
SCHEMBL4437642 0.90 MTOR (0.60) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4437404 0.88 MTOR (0.58) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4438499 0.87 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4438418 0.87 MTOR (0.57) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4437617 0.87 MTOR (0.64) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4438164 0.86 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4441280 0.85 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4443689 0.84 MTOR (0.74) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4441251 0.84 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4440759 0.84 PIK3CA (0.67) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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