SCHEMBL1114214

SCHEMBL1114214

CS(=O)(=O)N1CCN(C(CC=O)n2cnc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.61
▸ MTOR P42345 14/20 0.61
▸ PIK3CB P42338 11/20 0.53
▸ PIK3CD O00329 10/20 0.53
▸ PIK3CG P48736 9/20 0.53
▸ RPTOR Q8N122 2/20 0.53
▸ MLST8 Q9BVC4 2/20 0.53
▸ PIK3R1 P27986 7/20 0.51
▸ HDAC1 Q13547 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
SCHEMBL1113410 0.88 PIK3CA (0.64) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1114254 0.82 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1114125 0.82 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL16411857 0.76 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1113406 0.76 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL337082 0.76 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL336616 0.76 PIK3CA (0.55) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL16411763 0.75 PIK3CA (0.84) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1114212 0.75 PIK3CA (0.62) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL336680 0.75 PIK3CA (0.53) PIK3CAMTORPIK3CBPIK3CDPIK3CG

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-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 — — EP claimed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 — — WO claimed
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 — — EP disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 — — WO disclosed
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