SCHEMBL1114200

SCHEMBL1114200

Nc1ncc(-c2nc(N3CCOCC3)c3ncn(C4CN(CC=O)CCO4)c3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.55
MTOR P42345 10/20 0.53
PIK3CD O00329 5/20 0.48
PIK3CG P48736 5/20 0.48
PIK3R1 P27986 4/20 0.48
HDAC1 Q13547 3/20 0.48
PIK3CB P42338 2/20 0.48
RPTOR Q8N122 3/20 0.44
MLST8 Q9BVC4 3/20 0.44
RICTOR Q6R327 2/20 0.41
MAPKAP1 Q9BPZ7 2/20 0.41

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
SCHEMBL1114195 0.84 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL27813632 0.82 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL1113665 0.81 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL1114289 0.80 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL1114171 0.79 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL1114010 0.77 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL1114001 0.77 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL16411842 0.73 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL1114089 0.72 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL1114139 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3R1

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 2 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