SCHEMBL20141116

SCHEMBL20141116

Cc1nc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](CO)C2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.67
RPTOR Q8N122 10/20 0.67
MLST8 Q9BVC4 10/20 0.67
MLNR O43193 1/20 0.38
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL20133567 1.00 MTOR (0.67) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL22693153 0.91 MTOR (0.81) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL21360293 0.91 MTOR (0.81) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL20141042 0.91 MTOR (0.81) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL20133621 0.90 MTOR (0.56) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL22693238 0.90 MTOR (0.56) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL20141124 0.89 MTOR (0.54) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL20133568 0.89 MTOR (0.54) MTORRPTORMLST8MLNRHCRTR1
SCHEMBL20149885 0.87 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133727 0.83 MTOR (0.73) MTORRPTORMLST8HCRTR1HCRTR2

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-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed