SCHEMBL8008565

SCHEMBL8008565

Cc1nccn1-c1nc(-c2cnc(N)nc2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 1.00
MTOR P42345 16/20 1.00
PIK3R1 P27986 10/20 0.72
PIK3CD O00329 4/20 0.50
PIK3CB P42338 3/20 0.50
RICTOR Q6R327 1/20 0.50
RPTOR Q8N122 1/20 0.50
MAPKAP1 Q9BPZ7 1/20 0.50
MLST8 Q9BVC4 1/20 0.50
PIK3CG P48736 3/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
JAK3 P52333 1/20 0.49
PIK3C2B O00750 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
MAP3K12 Q12852 1/20 0.49

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
SCHEMBL8012484 0.85 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8012821 0.85 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1308957 0.85 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL7999531 0.84 PIK3CA (0.72) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8003598 0.82 PIK3CA (0.70) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8012490 0.82 PIK3CA (0.69) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4108827 0.81 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309814 0.80 PIK3CA (0.84) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL18117962 0.80 PIK3CA (0.89) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1308493 0.80 PIK3CA (0.89) 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-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed