SCHEMBL20139878

SCHEMBL20139878

Cc1cc(C)c(C(=O)C2CCN(c3ccc(F)cn3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.43
MTOR P42345 5/20 0.43
RPTOR Q8N122 5/20 0.43
MLST8 Q9BVC4 5/20 0.43
CHRM4 P08173 2/20 0.42
PPARG P37231 1/20 0.42
KMT2A Q03164 2/20 0.40
SLC27A1 Q6PCB7 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPY2R P49146 1/20 0.40
MEN1 O00255 1/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.40
RET P07949 5/20 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
SCHEMBL20156964 0.88 MTOR (0.49) PRKAA2MTORRPTORMLST8PPARG
SCHEMBL20141707 0.85 MTOR (0.47) PRKAA2MTORRPTORMLST8PPARG
SCHEMBL20140070 0.84 MTOR (0.47) MTORRPTORMLST8CHRM4PPARG
SCHEMBL20140048 0.84 MTOR (0.47) MTORRPTORMLST8CHRM4PPARG
SCHEMBL20140046 0.84 MTOR (0.47) MTORRPTORMLST8CHRM4PPARG
SCHEMBL20156997 0.81 MTOR (0.44) PRKAA2MTORRPTORMLST8PPARG
SCHEMBL20141897 0.80 HTT (0.47) PPARGALDH1A1RET
SCHEMBL20157265 0.80 RET (0.40) PPARGRET
SCHEMBL20140388 0.79 MTOR (0.47) MTORRPTORMLST8PPARGSLC27A1
SCHEMBL20139989 0.78 MTOR (0.49) MTORRPTORMLST8ALDH1A1LMNA

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