SCHEMBL20139934

SCHEMBL20139934

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
MTOR P42345 4/20 0.46
RPTOR Q8N122 4/20 0.46
MLST8 Q9BVC4 4/20 0.46
PARP1 P09874 1/20 0.46
PRKAA2 P54646 2/20 0.45
RET P07949 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SLC27A1 Q6PCB7 1/20 0.42

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
SCHEMBL20156887 0.92 PPARG (0.46) PPARGMTORRPTORMLST8PARP1
SCHEMBL20157251 0.92 PARP1 (0.49) PPARGMTORRPTORMLST8PARP1
SCHEMBL20140585 0.90 PPARG (0.47) PPARGMTORRPTORMLST8PARP1
SCHEMBL20156970 0.90 PRKAA2 (0.47) MTORRPTORMLST8PARP1PRKAA2
SCHEMBL20140785 0.90 PARP1 (0.47) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140697 0.89 PPARA (0.49) MTORRPTORMLST8PRKAA2RET
SCHEMBL20156964 0.89 MTOR (0.49) PPARGMTORRPTORMLST8PARP1
SCHEMBL20140044 0.88 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140587 0.87 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141182 0.87 PARP1 (0.48) MTORRPTORMLST8PARP1KDM4E

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