SCHEMBL20156809

SCHEMBL20156809

Cc1csc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5C#N)CC4)ccc3C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.45
RPTOR Q8N122 5/20 0.45
MLST8 Q9BVC4 5/20 0.45
PARP1 P09874 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PHGDH O43175 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD4 P21917 4/20 0.40
TACR3 P29371 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 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 0.89 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140693 0.86 HCRTR1 (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20157539 0.85 MTOR (0.46) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156931 0.84 MTOR (0.51) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20157021 0.83 SLC6A7 (0.46) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140600 0.82 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140304 0.82 GBA1 (0.44) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156963 0.82 GBA1 (0.45) MTORRPTORMLST8PARP1PHGDH
SCHEMBL20139909 0.81 LMNA (0.52) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140587 0.81 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E

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