SCHEMBL2597634

SCHEMBL2597634

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3nn(C(C)C)cc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.59
PIK3CA P42336 13/20 0.59
PIK3CG P48736 13/20 0.59
PIK3R1 P27986 1/20 0.44
PIK3CD O00329 1/20 0.44

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
SCHEMBL2597589 0.89 MTOR (0.53) MTORPIK3CAPIK3CG
SCHEMBL2597493 0.86 MTOR (0.66) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2597499 0.82 MTOR (0.56) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597537 0.81 MTOR (0.56) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2597615 0.80 MTOR (0.55) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2597508 0.80 MTOR (0.73) MTORPIK3CAPIK3CG
SCHEMBL2597525 0.79 MTOR (0.57) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597666 0.78 MTOR (0.57) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2597826 0.77 MTOR (0.54) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2597635 0.76 MTOR (0.59) 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