SCHEMBL2597500

SCHEMBL2597500

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.56
PIK3CA P42336 14/20 0.56
PIK3CG P48736 13/20 0.56
PIK3R1 P27986 2/20 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
SCHEMBL2597626 0.92 MTOR (0.58) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597513 0.88 PIK3CA (0.49) MTORPIK3CAPIK3R1
SCHEMBL2597511 0.88 PIK3CA (0.49) MTORPIK3CAPIK3R1
SCHEMBL2597635 0.82 MTOR (0.59) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597501 0.81 MTOR (0.62) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597653 0.80 MTOR (0.59) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL1360070 0.80 PIK3CA (0.50) MTORPIK3CAPIK3CGPIK3R1
Hydrochloric Acid SCHEMBL3164722 0.79 PIK3CA (0.49) MTORPIK3CAPIK3R1
SCHEMBL2597510 0.79 MTOR (0.57) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597633 0.79 MTOR (0.57) 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 4 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 claimed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO claimed
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