SCHEMBL16411857

SCHEMBL16411857

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.57
▸ MTOR P42345 16/20 0.57
▸ PIK3CB P42338 14/20 0.57
▸ PIK3CD O00329 13/20 0.57
▸ PIK3CG P48736 12/20 0.57
▸ PIK3R1 P27986 10/20 0.57
▸ RPTOR Q8N122 1/20 0.57
▸ MLST8 Q9BVC4 1/20 0.57
▸ HDAC1 Q13547 1/20 0.51

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
SCHEMBL16411842 0.90 PIK3CA (0.63) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1113406 0.85 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1114212 0.82 PIK3CA (0.62) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL16412048 0.77 PIK3CA (0.64) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1113410 0.77 PIK3CA (0.64) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1114214 0.76 PIK3CA (0.61) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1114197 0.76 PIK3CA (0.65) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1113976 0.76 PIK3CA (0.67) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1192012 0.75 PIK3CA (0.73) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL1114313 0.74 PIK3CA (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279188-B1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-01-28 — — EP claimed
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