SCHEMBL20141561

SCHEMBL20141561

Cc1cc(C)c(C(=O)N2CCN(c3nccc4cn[nH]c34)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.43
RPTOR Q8N122 7/20 0.43
MLST8 Q9BVC4 7/20 0.43
GRM1 Q13255 2/20 0.39
CALCA P06881 1/20 0.38
CHRM4 P08173 2/20 0.38
HCRTR2 O43614 2/20 0.37
HCRTR1 O43613 1/20 0.37
GPR6 P46095 1/20 0.37
PKM P14618 1/20 0.36
IDH1 O75874 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL20141564 1.00 MTOR (0.43) MTORRPTORMLST8GRM1CALCA
SCHEMBL20156797 0.92 MEN1 (0.41) MTORRPTORMLST8HCRTR2MEN1
SCHEMBL20141592 0.91 MTOR (0.43) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20141589 0.91 MTOR (0.43) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156998 0.91 MTOR (0.43) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156826 0.91 MTOR (0.46) MTORRPTORMLST8GRM1CALCA
SCHEMBL20140773 0.88 MTOR (0.49) MTORRPTORMLST8CALCAPKM
SCHEMBL20141016 0.86 MTOR (0.53) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20156832 0.82 MTOR (0.59) MTORRPTORMLST8GRM1CHRM4
SCHEMBL20141846 0.82 MTOR (0.59) MTORRPTORMLST8GRM1CHRM4

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed