SCHEMBL20156981

SCHEMBL20156981

N#Cc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)c(F)cc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.58
RPTOR Q8N122 4/20 0.58
MLST8 Q9BVC4 4/20 0.58
PARP1 P09874 4/20 0.51
DRD2 P14416 4/20 0.51
HTR2A P28223 3/20 0.51
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MALT1 Q9UDY8 1/20 0.45
TNKS O95271 1/20 0.44
PARP6 Q2NL67 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44
TACR3 P29371 1/20 0.43

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
SCHEMBL20139883 0.92 MTOR (0.54) MTORRPTORMLST8PARP1DRD2
SCHEMBL20156982 0.85 MTOR (0.48) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156994 0.84 KDM4E (0.54) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140323 0.84 KDM4E (0.54) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140146 0.83 KDM4E (0.53) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140631 0.83 MTOR (0.56) MTORRPTORMLST8PARP1DRD2
SCHEMBL20139960 0.83 MTOR (0.56) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140023 0.83 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139966 0.83 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20141188 0.80 MTOR (0.56) MTORRPTORMLST8PARP1DRD2

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