SCHEMBL20142672

SCHEMBL20142672

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2C)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.50
RPTOR Q8N122 8/20 0.50
MLST8 Q9BVC4 8/20 0.50
GRM1 Q13255 2/20 0.47
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 1/20 0.38
GRM5 P41594 1/20 0.38
GFER P55789 1/20 0.37
EED O75530 1/20 0.37
TACR3 P29371 1/20 0.37
DRD4 P21917 1/20 0.37
NAAA Q02083 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL20142669 1.00 MTOR (0.50) MTORRPTORMLST8GRM1CA12
SCHEMBL20140280 0.89 GRM1 (0.45) MTORRPTORMLST8GRM1GFER
SCHEMBL20142818 0.89 GRM1 (0.45) MTORRPTORMLST8GRM1GFER
SCHEMBL20140914 0.88 MTOR (0.47) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140779 0.86 GRM1 (0.42) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140416 0.86 GRM1 (0.43) MTORRPTORMLST8GRM1DRD4
SCHEMBL20157190 0.85 GRM1 (0.47) MTORRPTORMLST8GRM1NAMPT
SCHEMBL20140821 0.85 MTOR (0.45) MTORRPTORMLST8GRM1DRD4
SCHEMBL20140823 0.85 MTOR (0.45) MTORRPTORMLST8GRM1DRD4
SCHEMBL20157448 0.85 GRM1 (0.47) MTORRPTORMLST8GRM1NAMPT

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