SCHEMBL20156930

SCHEMBL20156930

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2cccnn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
PARP1 P09874 1/20 0.43
SLC6A7 Q99884 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD4 P21917 4/20 0.40
TACR3 P29371 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
ATM Q13315 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) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156928 0.88 MTOR (0.49) MTORRPTORMLST8PARP1SLC6A7
SCHEMBL20140606 0.86 MTOR (0.44) MTORRPTORMLST8PARP1SLC6A7
SCHEMBL20140600 0.86 KDM4E (0.54) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156931 0.85 MTOR (0.51) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156887 0.85 PPARG (0.46) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140304 0.84 GBA1 (0.44) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156963 0.84 GBA1 (0.45) MTORRPTORMLST8PARP1
SCHEMBL20140693 0.83 HCRTR1 (0.49) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20141182 0.83 PARP1 (0.48) 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