SCHEMBL20140693

SCHEMBL20140693

Cc1cc(C)nc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5C#N)CC4)ccc3C)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
GBA1 P04062 8/20 0.48
MTOR P42345 4/20 0.47
RPTOR Q8N122 4/20 0.47
MLST8 Q9BVC4 4/20 0.47
PHGDH O43175 1/20 0.46
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43

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 0.92 MTOR (0.54) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20157021 0.91 SLC6A7 (0.46) HCRTR1HCRTR2GBA1MTORRPTOR
SCHEMBL20157539 0.88 MTOR (0.46) MTORRPTORMLST8PHGDHPARP1
SCHEMBL20140158 0.88 MTOR (0.51) HCRTR1HCRTR2GBA1MTORRPTOR
SCHEMBL20141809 0.87 GBA1 (0.44) HCRTR1HCRTR2GBA1MTORRPTOR
SCHEMBL20156931 0.87 MTOR (0.51) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140785 0.87 PARP1 (0.47) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156809 0.86 MTOR (0.45) MTORRPTORMLST8PHGDHPARP1
SCHEMBL20140472 0.86 PARP1 (0.46) HCRTR1HCRTR2GBA1MTORRPTOR
SCHEMBL20140600 0.85 KDM4E (0.54) MTORRPTORMLST8PARP1ALDH1A1

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