SCHEMBL20140540

SCHEMBL20140540

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2C)n1C

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.74
RPTOR Q8N122 6/20 0.74
MLST8 Q9BVC4 6/20 0.74
CHRM2 P08172 2/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 4/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
CHRM4 P08173 7/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL20140539 1.00 MTOR (0.74) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140260 0.97 MTOR (0.70) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140258 0.97 MTOR (0.70) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159161 0.93 MTOR (0.64) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20141653 0.90 MTOR (0.71) MTORRPTORMLST8DRD2DRD4
SCHEMBL20141650 0.90 MTOR (0.71) MTORRPTORMLST8DRD2DRD4
SCHEMBL20140249 0.89 MTOR (0.60) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140252 0.89 MTOR (0.60) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159113 0.88 MTOR (0.73) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159013 0.88 MTOR (0.80) MTORRPTORMLST8CHRM2DRD2

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed