SCHEMBL20140883

SCHEMBL20140883

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCn2c(cc3ccccc32)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.44
MTOR P42345 2/20 0.43
RPTOR Q8N122 2/20 0.43
MLST8 Q9BVC4 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD4 P21917 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL20140044 0.87 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20142524 0.86 MTOR (0.44) SIGMAR1MTORRPTORMLST8DRD4
SCHEMBL20141539 0.85 PARP1 (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140766 0.84 MTOR (0.46) SIGMAR1MTORRPTORMLST8KDM4E
SCHEMBL20156931 0.82 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140693 0.81 HCRTR1 (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156930 0.81 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140600 0.80 KDM4E (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20157539 0.80 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140587 0.79 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1

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