SCHEMBL20139989

SCHEMBL20139989

Cc1cc(C)c(C(=O)N2CCN(c3ncc(F)cn3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.49
RPTOR Q8N122 8/20 0.49
MLST8 Q9BVC4 8/20 0.49
PARP1 P09874 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 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
SCHEMBL20140727 0.90 MTOR (0.47) MTORRPTORMLST8PARP1DRD2
SCHEMBL20156964 0.90 MTOR (0.49) MTORRPTORMLST8PARP1DRD2
SCHEMBL20139972 0.90 MTOR (0.48) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140200 0.89 MTOR (0.59) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140785 0.88 PARP1 (0.47) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140246 0.88 MTOR (0.57) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140719 0.88 MTOR (0.57) MTORRPTORMLST8PARP1DRD2
SCHEMBL20141543 0.88 MTOR (0.54) MTORRPTORMLST8PARP1DRD2
SCHEMBL20141707 0.87 MTOR (0.47) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140158 0.87 MTOR (0.51) MTORRPTORMLST8DRD2DRD4

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