SCHEMBL16457161

SCHEMBL16457161

CC(C)Cn1c(Cl)nc2c(N3CCOC[C@@H]3C)nc(-c3cn[c]nc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 18/20 0.41
▸ PIK3CA P42336 13/20 0.41
▸ PIK3R1 P27986 8/20 0.41
▸ RICTOR Q6R327 8/20 0.41
▸ RPTOR Q8N122 8/20 0.41
▸ MAPKAP1 Q9BPZ7 8/20 0.41
▸ MLST8 Q9BVC4 8/20 0.41
▸ PIK3CD O00329 7/20 0.41
▸ PIK3CB P42338 3/20 0.41
▸ PIK3CG P48736 3/20 0.41
▸ PIK3C3 Q8NEB9 3/20 0.41
▸ ATR Q13535 1/20 0.36
▸ ATRIP Q8WXE1 1/20 0.36

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
SCHEMBL336770 0.88 PIK3CA (0.55) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL1965408 0.81 MTOR (0.37) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL799341 0.80 PIK3CA (0.42) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL336264 0.74 PIK3CA (0.51) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL336657 0.72 PIK3CA (0.61) MTORPIK3CAPIK3R1RPTORMLST8
SCHEMBL337225 0.72 PIK3CA (0.49) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL336390 0.72 PIK3CA (0.57) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL337219 0.71 PIK3CA (0.48) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL336267 0.70 PIK3CA (0.47) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL336774 0.70 PIK3CA (0.49) MTORPIK3CAPIK3R1RICTORRPTOR

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-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 — — EP disclosed
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