SCHEMBL20149869

SCHEMBL20149869

Cc1cc(C)c(NC2CCN(c3ccccc3C#N)CC2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.56
RPTOR Q8N122 7/20 0.56
MLST8 Q9BVC4 7/20 0.56
ACHE P22303 3/20 0.46
PHGDH O43175 1/20 0.43
EHMT2 Q96KQ7 3/20 0.40
NSD2 O96028 1/20 0.39
GPR6 P46095 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL20141037 0.89 MTOR (0.55) MTORRPTORMLST8ACHEPHGDH
SCHEMBL20133775 0.86 MTOR (0.53) MTORRPTORMLST8ACHEPHGDH
SCHEMBL20133773 0.86 MTOR (0.55) MTORRPTORMLST8ACHEPHGDH
SCHEMBL20133662 0.85 MTOR (0.65) MTORRPTORMLST8ACHEPHGDH
SCHEMBL20149898 0.78 MTOR (0.69) MTORRPTORMLST8PHGDHGPR6
SCHEMBL20150021 0.77 MTOR (0.70) MTORRPTORMLST8PHGDHGPR6
SCHEMBL22187975 0.77 MTOR (0.75) MTORRPTORMLST8PHGDHGPR6
SCHEMBL20140843 0.77 MTOR (0.44) MTORRPTORMLST8ACHEPHGDH
SCHEMBL22693274 0.77 MTOR (0.67) MTORRPTORMLST8ALDH1A1SMN1; SMN2
SCHEMBL22693272 0.77 MTOR (0.67) MTORRPTORMLST8PHGDHGPR6

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed