SCHEMBL20140048

SCHEMBL20140048

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2C)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.47
RPTOR Q8N122 6/20 0.47
MLST8 Q9BVC4 6/20 0.47
CHRM4 P08173 5/20 0.46
GRM1 Q13255 2/20 0.43
CHRM1 P11229 1/20 0.42
EGLN1 Q9GZT9 3/20 0.42
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PPARG P37231 1/20 0.39
CXCR3 P49682 1/20 0.38

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
SCHEMBL20140046 1.00 MTOR (0.47) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20140070 1.00 MTOR (0.47) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20156856 0.90 MTOR (0.44) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20156877 0.90 MTOR (0.44) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20156876 0.90 MTOR (0.44) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20142107 0.90 GRM1 (0.47) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20141016 0.88 MTOR (0.53) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20156964 0.88 MTOR (0.49) MTORRPTORMLST8PARP1PPARG
Trifluoroacetic Acid SCHEMBL20140703 0.87 CHRM4 (0.42) MTORRPTORMLST8CHRM4GRM1
SCHEMBL20157507 0.86 CHRM1 (0.47) MTORRPTORMLST8CHRM4GRM1

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