SCHEMBL20157295

SCHEMBL20157295

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccn2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.47
RPTOR Q8N122 5/20 0.47
MLST8 Q9BVC4 5/20 0.47
ALDH1A1 P00352 5/20 0.43
PARP1 P09874 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTR7 P34969 1/20 0.40
P2RX7 Q99572 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 0.84 MTOR (0.54) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20140600 0.83 KDM4E (0.54) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20156930 0.82 MTOR (0.46) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20157005 0.81 CHRM4 (0.47) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20157004 0.81 CHRM4 (0.47) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140664 0.81 MTOR (0.57) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20156887 0.80 PPARG (0.46) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20156931 0.80 MTOR (0.51) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20157021 0.80 SLC6A7 (0.46) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20156927 0.80 MTOR (0.47) MTORRPTORMLST8ALDH1A1PARP1

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