SCHEMBL2597546

SCHEMBL2597546

CNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)nc3[nH]nc(C4CCOCC4)c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.53
MTOR P42345 5/20 0.50

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
SCHEMBL2597498 1.00 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL2597502 0.95 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL2597501 0.89 MTOR (0.62) PIK3CAMTOR
SCHEMBL2597620 0.89 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL2597653 0.85 MTOR (0.59) PIK3CAMTOR
SCHEMBL2597535 0.84 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL2597736 0.84 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL2597491 0.84 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL2597492 0.84 PIK3CA (0.50) PIK3CAMTOR
SCHEMBL2597510 0.83 MTOR (0.57) PIK3CAMTOR

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