SCHEMBL23604869

SCHEMBL23604869

CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCO[C@H]5CCC[C@@H]54)nc3n2)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.82
PIK3CA P42336 2/20 0.82
PIK3CD O00329 1/20 0.82
PIK3R1 P27986 1/20 0.82
PIK3CB P42338 1/20 0.82
PIK3CG P48736 1/20 0.82
PFKP Q01813 1/20 0.82
KCNH2 Q12809 1/20 0.82
RPTOR Q8N122 1/20 0.82
PIK3C3 Q8NEB9 1/20 0.82
MLST8 Q9BVC4 1/20 0.82

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
SCHEMBL23604930 1.00 MTOR (0.82) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL23604917 0.98 MTOR (0.82) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL23604916 0.98 MTOR (0.82) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL22449927 0.96 MTOR (0.83) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL22594118 0.93 MTOR (0.83) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL22449816 0.93 MTOR (0.83) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL22594121 0.93 MTOR (0.83) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL23604919 0.92 MTOR (0.82) MTORPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL23604918 0.92 MTOR (0.82) MTORPIK3CAPIK3CDPIK3R1PIK3CB
Vistusertib SCHEMBL20734874 0.91 MTOR (1.00) MTORPIK3CAPIK3CDPIK3R1PIK3CB

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-2021133509-A1 HETEROCYCLIC COMPOUNDS AS MTOR INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2021-07-01 WO disclosed