SCHEMBL8216675

SCHEMBL8216675

C[C@H]1COCCN1c1nc(N2CCOCC2)c2ccc(-c3ccnc(N)c3)nc2n1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.71
AKT1 P31749 3/20 0.67

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
SCHEMBL391972 0.93 MTOR (0.81) MTORAKT1
SCHEMBL391973 0.93 MTOR (0.81) MTORAKT1
SCHEMBL18433996 0.89 MTOR (0.71) MTORAKT1
SCHEMBL2902969 0.87 AKT1 (0.88) MTORAKT1
SCHEMBL4913107 0.87 AKT1 (0.88) MTORAKT1
SCHEMBL10225247 0.84 MTOR (0.82) MTORAKT1
SCHEMBL8212095 0.83 MTOR (0.80) MTORAKT1
SCHEMBL8216670 0.83 MTOR (1.00) MTORAKT1
SCHEMBL2900173 0.83 MTOR (1.00) MTORAKT1
SCHEMBL2906097 0.83 MTOR (1.00) MTORAKT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 WO disclosed