SCHEMBL7914669

SCHEMBL7914669

Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N)n2)cn1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.81
PIK3CA P42336 8/20 0.81
PIK3R1 P27986 6/20 0.81
PIK3CG P48736 3/20 0.81
PIK3CB P42338 3/20 0.81
PIK3R5 Q8WYR1 2/20 0.81
PIK3CD O00329 2/20 0.81
PIK3C2B O00750 2/20 0.81
PRKDC P78527 2/20 0.81
PIK3C3 Q8NEB9 2/20 0.81
PI4KB Q9UBF8 2/20 0.81
AKR1C3 P42330 1/20 0.81
RICTOR Q6R327 1/20 0.63
RPTOR Q8N122 1/20 0.63
MAPKAP1 Q9BPZ7 1/20 0.63
MLST8 Q9BVC4 1/20 0.63

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
Buparlisib SCHEMBL146956 0.90 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL29387968 0.90 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL29350945 0.90 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL29351351 0.90 MTOR (1.00) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL29493083 0.89 MTOR (0.98) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL29412438 0.89 MTOR (0.98) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL18528952 0.89 MTOR (0.98) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL896966 0.89 MTOR (0.98) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL143412 0.89 MTOR (0.98) MTORPIK3CAPIK3R1PIK3CGPIK3CB
Buparlisib SCHEMBL896994 0.88 MTOR (0.96) MTORPIK3CAPIK3R1PIK3CGPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041399-A2 PI3K (DELTA) SELECTIVE INHIBITORS TYROGENEX, INC. (US) 2011-04-07 WO disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed
WO-2010005558-A2 PI3K ISOFORM SELECTIVE INHIBITORS XCOVERY, INC. (US) 2010-01-14 WO disclosed