SCHEMBL4075802

SCHEMBL4075802

c1cc(-c2cc(N3CCOCC3)cs2)c2cn[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
PIK3CA P42336 16/20 0.55
PIK3CB P42338 1/20 0.55
MTOR P42345 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3CD O00329 1/20 0.49
ATR Q13535 1/20 0.47
EPHB4 P54760 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
SCHEMBL1309601 0.79 PIK3CA (0.60) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1310548 0.76 ATR (0.58) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL4565350 0.74 PIK3CA (0.49) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL18193255 0.74 PIK3CA (0.76) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1309278 0.74 PIK3CA (0.77) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL17361013 0.73 PIK3CD (0.39) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL17014780 0.72 AR (1.00) ARPIK3CAPIK3CBMTORPIK3CG
SCHEMBL1864435 0.71 PIK3CA (0.74) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL16639125 0.71 PIK3CD (0.66) PIK3CAPIK3CBMTORPIK3CD
SCHEMBL1857546 0.71 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP claimed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO claimed
CN-102970868-A Treatment of cancers having K-RAS mutations CURIS INC 2013-03-13 CN disclosed
CN-102341108-A PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY CURIS INC 2012-02-01 CN disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO disclosed