SCHEMBL20156927

SCHEMBL20156927

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2nccn2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.47
RPTOR Q8N122 5/20 0.47
MLST8 Q9BVC4 5/20 0.47
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD4 P21917 3/20 0.40
PKM P14618 1/20 0.40
TACR3 P29371 1/20 0.40
HTR7 P34969 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 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
SCHEMBL20141368 0.88 MTOR (0.51) MTORRPTORMLST8DRD4PKM
SCHEMBL20140600 0.85 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156931 0.84 MTOR (0.51) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20157021 0.83 SLC6A7 (0.46) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140693 0.83 HCRTR1 (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140664 0.83 MTOR (0.57) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141809 0.83 GBA1 (0.44) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156887 0.82 PPARG (0.46) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140785 0.82 PARP1 (0.47) 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