SCHEMBL8079836

SCHEMBL8079836

Nc1ccc(-c2nc(N3CCOCC3)nc3[nH]cnc23)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.59
MTOR P42345 12/20 0.59
PIK3R1 P27986 9/20 0.59
RICTOR Q6R327 2/20 0.53
RPTOR Q8N122 2/20 0.53
MAPKAP1 Q9BPZ7 2/20 0.53
MLST8 Q9BVC4 2/20 0.53
PIK3CD O00329 4/20 0.46
PIK3CG P48736 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
PIK3CB P42338 1/20 0.43
JAK3 P52333 1/20 0.43
ATR Q13535 1/20 0.42
ATRIP Q8WXE1 1/20 0.42
AKT1 P31749 1/20 0.42

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
SCHEMBL8062292 0.88 PIK3CA (0.58) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL7952861 0.83 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL12537215 0.80 ATR (0.49) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL30677407 0.78 GAA (0.47) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL14249161 0.77 PIK3CA (0.42) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL10327823 0.77 PIK3CA (0.65) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1568626 0.76 PIK3CA (0.65) PIK3CAMTORPIK3CG
SCHEMBL14316117 0.76 CNR2 (0.44) PIK3CAMTORPIK3R1PIK3CDPIK3CG
SCHEMBL31748485 0.75 SRC (0.47) PIK3CAMTORPIK3R1
SCHEMBL14249567 0.75 PIK3CA (0.46) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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
WO-2009045174-A1 2-MORPHOLINYLPURINES AS INHIBITORS OF PI3K S*BIO PTE LTD (SG) 2009-04-09 WO disclosed