SCHEMBL20141504

SCHEMBL20141504

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(C#N)c3)CC2)n1C

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.67
RPTOR Q8N122 6/20 0.67
MLST8 Q9BVC4 6/20 0.67
CHRM4 P08173 7/20 0.47
CHRM2 P08172 3/20 0.43
ALDH1A1 P00352 1/20 0.41
CHRM1 P11229 2/20 0.40
HTR7 P34969 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
SCHEMBL20141905 0.90 MTOR (0.63) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20139283 0.90 MTOR (0.63) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159216 0.89 MTOR (0.81) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159090 0.89 MTOR (0.71) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159093 0.87 MTOR (0.68) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20140500 0.86 MTOR (0.67) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20140071 0.86 MTOR (0.78) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20158919 0.86 MTOR (0.72) MTORRPTORMLST8CHRM4ALDH1A1
SCHEMBL20158988 0.85 MTOR (0.73) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20139877 0.85 MTOR (0.64) MTORRPTORMLST8CHRM4ALDH1A1

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