SCHEMBL20157050

SCHEMBL20157050

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CN1C2CC1CN(c1ccccc1C#N)C2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.55
RPTOR Q8N122 4/20 0.55
MLST8 Q9BVC4 4/20 0.55
RET P07949 12/20 0.43
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FASN P49327 1/20 0.37

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) MTORRPTORMLST8RETKDM4E
SCHEMBL20141707 0.85 MTOR (0.47) MTORRPTORMLST8KDM4EFASN
SCHEMBL20156997 0.82 MTOR (0.44) MTORRPTORMLST8RETKDM4E
SCHEMBL20156834 0.81 MTOR (0.54) MTORRPTORMLST8LMNAHTT
SCHEMBL20139980 0.80 MTOR (0.46) MTORRPTORMLST8RETHCRTR1
SCHEMBL20140046 0.79 MTOR (0.47) MTORRPTORMLST8
SCHEMBL20140070 0.79 MTOR (0.47) MTORRPTORMLST8
SCHEMBL20140048 0.79 MTOR (0.47) MTORRPTORMLST8
SCHEMBL20139934 0.78 PPARG (0.47) MTORRPTORMLST8RETKDM4E
SCHEMBL20141367 0.78 RET (0.42) RET

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