SCHEMBL20149927

SCHEMBL20149927

C=C(c1cc(NC2CCN(c3ccccc3C#N)CC2)c(C)cc1C)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.56
RPTOR Q8N122 7/20 0.56
MLST8 Q9BVC4 7/20 0.56
GPR119 Q8TDV5 7/20 0.42
NSD2 O96028 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL20149868 0.91 MTOR (0.67) MTORRPTORMLST8GPR119NSD2
SCHEMBL20149875 0.86 MTOR (0.56) MTORRPTORMLST8ALDH1A1
SCHEMBL20149922 0.85 MTOR (0.56) MTORRPTORMLST8ALDH1A1
SCHEMBL20129666 0.82 MTOR (0.62) MTORRPTORMLST8ALDH1A1NPC1
SCHEMBL20133739 0.82 MTOR (0.78) MTORRPTORMLST8ALDH1A1L3MBTL1
SCHEMBL20129637 0.82 MTOR (0.64) MTORRPTORMLST8ALDH1A1
SCHEMBL20133537 0.81 MTOR (0.66) MTORRPTORMLST8GPR119BRD4
SCHEMBL20133558 0.81 MTOR (0.66) MTORRPTORMLST8GPR119BRD4
SCHEMBL20133681 0.80 MTOR (0.65) MTORRPTORMLST8ALDH1A1L3MBTL1
SCHEMBL20150218 0.79 MTOR (0.74) MTORRPTORMLST8L3MBTL1

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed