SCHEMBL20141539

SCHEMBL20141539

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCn2c(nc3ccccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GRM2 Q14416 2/20 0.42
MTOR P42345 3/20 0.42
RPTOR Q8N122 3/20 0.42
MLST8 Q9BVC4 3/20 0.42
DRD4 P21917 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL20140883 0.85 SIGMAR1 (0.44) ALDH1A1MTORRPTORMLST8DRD4
SCHEMBL20140044 0.85 MTOR (0.54) PARP1HTTALDH1A1MTORRPTOR
SCHEMBL20140693 0.81 HCRTR1 (0.49) PARP1HTTALDH1A1MTORRPTOR
SCHEMBL20156931 0.81 MTOR (0.51) PARP1TSHRALDH1A1MTORRPTOR
SCHEMBL20141649 0.81 P2RX7 (0.47) PARP1HTTALDH1A1MTORRPTOR
SCHEMBL20157539 0.80 MTOR (0.46) PARP1TSHRHTTALDH1A1MTOR
SCHEMBL20140600 0.79 KDM4E (0.54) PARP1ALDH1A1MTORRPTORMLST8
SCHEMBL20156811 0.79 MTOR (0.42) PARP1TSHRHTTALDH1A1MTOR
SCHEMBL20157021 0.79 SLC6A7 (0.46) PARP1ALDH1A1MTORRPTORMLST8
SCHEMBL20156809 0.79 MTOR (0.45) PARP1HTTALDH1A1MTORRPTOR

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