SCHEMBL4078434

SCHEMBL4078434

COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOCC4)nc3n2)cc1C(=O)NS(C)(=O)=O

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.84
KCNH2 Q12809 1/20 0.64

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
SCHEMBL4078423 1.00 MTOR (0.84) MTORKCNH2
SCHEMBL393727 0.91 MTOR (1.00) MTORKCNH2
SCHEMBL393728 0.91 MTOR (1.00) MTORKCNH2
SCHEMBL393589 0.89 MTOR (0.91) MTOR
SCHEMBL393590 0.89 MTOR (0.91) MTOR
SCHEMBL392090 0.88 MTOR (1.00) MTOR
SCHEMBL392089 0.88 MTOR (1.00) MTOR
SCHEMBL1219660 0.86 MTOR (1.00) MTORKCNH2
SCHEMBL289661 0.86 MTOR (1.00) MTORKCNH2
SCHEMBL2907120 0.86 MTOR (0.90) MTORKCNH2

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-2057156-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Kudos Pharmaceuticals Limited (GB) 2009-05-13 EP disclosed
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 WO disclosed