SCHEMBL20139980

SCHEMBL20139980

Cc1cc(C)c(C(=O)N2C3CC2CN(c2ccccc2C#N)C3)cc1CN1C2CC1CN(c1ccccc1C#N)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.46
RPTOR Q8N122 5/20 0.46
MLST8 Q9BVC4 5/20 0.46
RET P07949 4/20 0.37
GRM1 Q13255 2/20 0.37
DRD4 P21917 4/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
BRD4 O60885 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL20156791 0.92 MTOR (0.52) MTORRPTORMLST8GRM1DRD4
SCHEMBL20139970 0.82 GRM1 (0.39) MTORRPTORMLST8RETGRM1
SCHEMBL20157050 0.80 MTOR (0.55) MTORRPTORMLST8RETHCRTR1
SCHEMBL20157463 0.79 GRM1 (0.41) MTORRPTORMLST8GRM1DRD4
SCHEMBL20156834 0.78 MTOR (0.54) MTORRPTORMLST8DPP4
SCHEMBL20140996 0.78 MTOR (0.44) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157462 0.77 KDM4E (0.40) MTORRPTORMLST8GRM1DRD4
SCHEMBL20139990 0.76 MTOR (0.40) MTORRPTORMLST8GRM1DRD4
Trifluoroacetic Acid SCHEMBL20140080 0.75 MTOR (0.42) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141544 0.75 MTOR (0.48) MTORRPTORMLST8RETDRD4

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