SCHEMBL7920210

SCHEMBL7920210

Nc1cc(C(F)(F)F)c(-c2nc(N3CCCOCC3)c3ocnc3n2)cn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.60
MTOR P42345 17/20 0.60
PIK3R1 P27986 7/20 0.60
RICTOR Q6R327 7/20 0.60
RPTOR Q8N122 7/20 0.60
MAPKAP1 Q9BPZ7 7/20 0.60
MLST8 Q9BVC4 7/20 0.60
PIK3CD O00329 1/20 0.60
PIK3C2B O00750 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
PRKDC P78527 1/20 0.60
PIK3C3 Q8NEB9 1/20 0.60
PI4KB Q9UBF8 1/20 0.60

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
SCHEMBL1309705 0.96 PIK3CA (0.65) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL23505771 0.81 PIK3CA (0.91) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1309020 0.79 PIK3CA (0.64) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1310017 0.78 PIK3CA (0.64) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL18117895 0.77 PIK3CA (0.91) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL855515 0.76 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
Bimiralisib SCHEMBL29352266 0.76 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
Bimiralisib SCHEMBL1309049 0.76 PIK3CA (1.00) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1310542 0.76 PIK3CA (0.61) PIK3CAMTORPIK3R1RICTORRPTOR
SCHEMBL1309899 0.75 PIK3CA (0.55) 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-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 WO disclosed