SCHEMBL2597526

SCHEMBL2597526

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3[nH]nc(C4CCN(S(C)(=O)=O)CC4)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.57
PIK3CA P42336 15/20 0.52
PIK3CG P48736 6/20 0.52
PIK3R1 P27986 1/20 0.42

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
SCHEMBL2597501 0.91 MTOR (0.62) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597510 0.90 MTOR (0.57) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597633 0.90 MTOR (0.57) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597542 0.90 MTOR (0.57) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597653 0.90 MTOR (0.59) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597521 0.87 MTOR (0.56) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597667 0.87 MTOR (0.54) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597495 0.86 MTOR (0.55) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597538 0.86 MTOR (0.53) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597827 0.85 MTOR (0.53) MTORPIK3CAPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP disclosed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO disclosed