SCHEMBL20140023

SCHEMBL20140023

Cc1cc(C)c(C(=O)N2CCN(c3ncccc3Cl)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.61
RPTOR Q8N122 9/20 0.61
MLST8 Q9BVC4 9/20 0.61
DRD2 P14416 3/20 0.48
HTR2A P28223 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
GPR6 P46095 1/20 0.44
TACR3 P29371 1/20 0.43
ENPP2 Q13822 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
SCHEMBL20139966 1.00 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140751 0.94 MTOR (0.60) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140323 0.93 KDM4E (0.54) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20156994 0.93 KDM4E (0.54) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140767 0.91 MTOR (0.54) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139928 0.91 MTOR (0.56) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20156824 0.91 MTOR (0.56) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20140828 0.89 MTOR (0.52) MTORRPTORMLST8DRD2KDM4E
SCHEMBL20140797 0.89 KDM4E (0.58) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139905 0.89 DRD2 (0.54) MTORRPTORMLST8DRD2HTR2A

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