SCHEMBL20157055

SCHEMBL20157055

Cc1cc(C)c(C(=O)N2CCN(c3cnccn3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.49
RPTOR Q8N122 8/20 0.49
MLST8 Q9BVC4 8/20 0.49
SLC6A7 Q99884 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
FABP6 P51161 1/20 0.43
PARP1 P09874 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL20140200 0.89 MTOR (0.59) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20157274 0.89 MTOR (0.49) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20156964 0.87 MTOR (0.49) MTORRPTORMLST8KDM4EPARP1
SCHEMBL20156928 0.86 MTOR (0.49) MTORRPTORMLST8SLC6A7ALDH1A1
SCHEMBL20140417 0.86 MTOR (0.51) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20156994 0.86 KDM4E (0.54) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140323 0.86 KDM4E (0.54) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140545 0.86 MTOR (0.51) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20156918 0.86 MTOR (0.55) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20139962 0.86 MTOR (0.55) MTORRPTORMLST8ALDH1A1KDM4E

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed