SCHEMBL7999531

SCHEMBL7999531

COc1nc(N)ncc1-c1nc(N2CCOCC2)nc(-n2ccnc2C)n1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.72
MTOR P42345 20/20 0.72
PIK3R1 P27986 6/20 0.59
RICTOR Q6R327 6/20 0.52
RPTOR Q8N122 6/20 0.52
MAPKAP1 Q9BPZ7 6/20 0.52
MLST8 Q9BVC4 6/20 0.52
PIK3CD O00329 2/20 0.51
PIK3C2B O00750 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
PIK3C3 Q8NEB9 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
PRKDC P78527 1/20 0.43

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
SCHEMBL8008565 0.84 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL8016528 0.78 PIK3CA (0.72) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1309734 0.76 PIK3CA (0.59) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1310736 0.75 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL7999520 0.74 PIK3CA (0.61) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL4018233 0.73 PIK3CA (0.65) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8012821 0.73 PIK3CA (0.74) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL18117893 0.72 PIK3CA (0.90) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1309060 0.72 PIK3CA (0.90) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL8012484 0.71 PIK3CA (0.74) PIK3CAMTORPIK3R1RICTORRPTOR

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-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed