SCHEMBL1965408

SCHEMBL1965408

CC(C)Cn1c(Cl)nc2c(N3CCOC[C@@H]3C)nc(-c3c(C(C)(C)C)n[c]nc3C(C)(C)C)nc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.37
PIK3CA P42336 9/20 0.37
PIK3CD O00329 6/20 0.37
ATR Q13535 6/20 0.32
ATRIP Q8WXE1 5/20 0.32
RPTOR Q8N122 5/20 0.31
MLST8 Q9BVC4 5/20 0.31
PIK3R1 P27986 3/20 0.31
RICTOR Q6R327 3/20 0.31
MAPKAP1 Q9BPZ7 3/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PIK3C3 Q8NEB9 2/20 0.31

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
SCHEMBL16457161 0.81 MTOR (0.41) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL336770 0.77 PIK3CA (0.55) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL799341 0.73 PIK3CA (0.42) MTORPIK3CAPIK3CDRPTORMLST8
SCHEMBL370729 0.68 MTOR (0.37) MTORPIK3CAPIK3CD
SCHEMBL336264 0.63 PIK3CA (0.51) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL25279339 0.63 MTOR (0.45) MTORPIK3CAPIK3CDATR
SCHEMBL1610889 0.63 MTOR (0.45) MTORPIK3CAPIK3CDATR
SCHEMBL1610886 0.63 MTOR (0.45) MTORPIK3CAPIK3CDATR
SCHEMBL336286 0.63 MTOR (0.48) MTORPIK3CAPIK3CDATRATRIP
SCHEMBL366555 0.62 PIK3CA (0.42) MTORPIK3CAPIK3CDPIK3R1PIK3CB

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-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed