SCHEMBL20141878

SCHEMBL20141878

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2cc(F)c(F)cc2C#N)CC1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.44
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
GRM1 Q13255 1/20 0.44
CHRM2 P08172 4/20 0.43
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM4 P08173 2/20 0.38
GFER P55789 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CHRM1 P11229 3/20 0.37
CHRM5 P08912 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
SCHEMBL20139885 1.00 MTOR (0.44) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20140629 0.94 CHRM2 (0.49) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20142818 0.88 GRM1 (0.45) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20140280 0.88 GRM1 (0.45) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20140709 0.86 GRM1 (0.50) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20142060 0.86 GRM1 (0.50) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20141986 0.82 MTOR (0.48) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20133735 0.82 MTOR (0.62) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20157490 0.82 GRM1 (0.45) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20140721 0.82 GRM1 (0.45) MTORRPTORMLST8GRM1CHRM2

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