SCHEMBL2597537

SCHEMBL2597537

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3nn(C4CCN(C(=O)[C@H](C)O)CC4)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.56
PIK3CA P42336 18/20 0.50
PIK3CG P48736 10/20 0.50
ATR Q13535 3/20 0.46
PIK3R1 P27986 3/20 0.44
PIK3CD O00329 1/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3C3 Q8NEB9 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
SCHEMBL2597615 0.93 MTOR (0.55) MTORPIK3CAPIK3CGATRPIK3R1
SCHEMBL2597666 0.88 MTOR (0.57) MTORPIK3CAPIK3CGATRPIK3R1
SCHEMBL2597826 0.86 MTOR (0.54) MTORPIK3CAPIK3CGATRPIK3R1
SCHEMBL2597525 0.86 MTOR (0.57) MTORPIK3CAPIK3CGATRPIK3R1
SCHEMBL2597659 0.84 MTOR (0.80) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL2597634 0.81 MTOR (0.59) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2597538 0.79 MTOR (0.53) MTORPIK3CAPIK3CGATRPIK3R1
SCHEMBL14794908 0.78 MTOR (0.78) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL2597496 0.77 MTOR (0.79) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL2597499 0.75 MTOR (0.56) 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