SCHEMBL20140664

SCHEMBL20140664

Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.57
RPTOR Q8N122 5/20 0.57
MLST8 Q9BVC4 5/20 0.57
DRD2 P14416 3/20 0.48
HTR2A P28223 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
PARP1 P09874 2/20 0.46
CHRM4 P08173 1/20 0.44
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
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
SCHEMBL20140600 0.93 KDM4E (0.54) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20156931 0.91 MTOR (0.51) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140023 0.89 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139966 0.89 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140044 0.88 MTOR (0.54) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20157309 0.88 MTOR (0.47) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20156810 0.88 MTOR (0.47) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140812 0.85 ALDH1A1 (0.56) KDM4EALDH1A1HTR7CHRM4GAA
SCHEMBL20141295 0.85 KDM4E (0.50) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20157539 0.84 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1

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