SCHEMBL20140751

SCHEMBL20140751

Cc1cc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1CN1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.60
RPTOR Q8N122 1/20 0.60
MLST8 Q9BVC4 1/20 0.60
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
ENPP2 Q13822 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
PARP1 P09874 3/20 0.46
PANK3 Q9H999 1/20 0.45
HDAC2 Q92769 1/20 0.44
TNKS O95271 1/20 0.43
PARP6 Q2NL67 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
RECQL P46063 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
SCHEMBL20140797 0.95 KDM4E (0.58) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139966 0.94 MTOR (0.61) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140023 0.94 MTOR (0.61) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140323 0.90 KDM4E (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156994 0.90 KDM4E (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140767 0.87 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139946 0.84 MTOR (0.48) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140608 0.84 MTOR (0.56) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139928 0.84 MTOR (0.56) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156824 0.84 MTOR (0.56) 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 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