SCHEMBL3051889

SCHEMBL3051889

Nc1ncc(-c2nc(N3CCOCC3)nc3[nH]nc(C4CCOC4)c23)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.51
PIK3R1 P27986 13/20 0.51
MTOR P42345 4/20 0.48
RICTOR Q6R327 2/20 0.48
RPTOR Q8N122 2/20 0.48
MAPKAP1 Q9BPZ7 2/20 0.48
MLST8 Q9BVC4 2/20 0.48
PIK3CD O00329 2/20 0.45
PIK3CB P42338 1/20 0.44
MAP3K12 Q12852 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
Hydrochloric Acid SCHEMBL2566425 0.99 PIK3CA (0.50) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL2565055 0.95 PIK3CA (0.51) PIK3CAPIK3R1MTORRICTORRPTOR
Hydrochloric Acid SCHEMBL2565069 0.94 PIK3CA (0.50) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL2574180 0.82 PIK3CA (0.41) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL2571185 0.82 PIK3CA (0.53) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL16667531 0.81 PIK3CA (0.42) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL1360066 0.81 PIK3R1 (0.51) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL16667502 0.81 PIK3CA (0.42) PIK3CAPIK3R1MTORRICTORRPTOR
Hydrochloric Acid SCHEMBL2568691 0.81 PIK3CA (0.53) PIK3CAPIK3R1MTORRICTORRPTOR
SCHEMBL1359842 0.80 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CB

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-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed