SCHEMBL2597625

SCHEMBL2597625

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.58
PIK3CA P42336 4/20 0.58
PIK3CG P48736 3/20 0.58
PIK3R1 P27986 3/20 0.54
PIK3CD O00329 1/20 0.49

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
SCHEMBL2597499 0.92 MTOR (0.56) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL7913091 0.82 MTOR (0.58) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2597626 0.77 MTOR (0.58) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL32534 0.75 MTOR (1.00) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2564539 0.75 MTOR (0.49) MTORPIK3CAPIK3CGPIK3R1
SCHEMBL2597634 0.74 MTOR (0.59) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2599579 0.73 MTOR (0.69) MTORPIK3CAPIK3CG
SCHEMBL13195152 0.73 MTOR (0.71) MTORPIK3CAPIK3CGPIK3R1PIK3CD
Hydrochloric Acid SCHEMBL15769041 0.72 MTOR (0.70) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL2370486 0.72 MTOR (0.70) MTORPIK3CAPIK3CGPIK3R1PIK3CD

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