SCHEMBL20156983

SCHEMBL20156983

Cc1cc(C)c(C(=O)N2CCN(c3cccnc3S(C)(=N)=O)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.52
RPTOR Q8N122 11/20 0.52
MLST8 Q9BVC4 11/20 0.52
GPR6 P46095 1/20 0.42
DRD4 P21917 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL20141547 0.94 MTOR (0.52) MTORRPTORMLST8GPR6DRD4
SCHEMBL20156794 0.90 MTOR (0.54) MTORRPTORMLST8GPR6PKM
SCHEMBL20156994 0.88 KDM4E (0.54) MTORRPTORMLST8DRD4KDM4E
SCHEMBL20140323 0.88 KDM4E (0.54) MTORRPTORMLST8DRD4KDM4E
SCHEMBL20140545 0.88 MTOR (0.51) MTORRPTORMLST8GPR6DRD4
SCHEMBL20140417 0.88 MTOR (0.51) MTORRPTORMLST8GPR6DRD4
SCHEMBL20157225 0.88 MTOR (0.53) MTORRPTORMLST8DRD4KDM4E
SCHEMBL20140200 0.87 MTOR (0.59) MTORRPTORMLST8DRD4KDM4E
SCHEMBL20140884 0.85 MTOR (0.51) MTORRPTORMLST8DRD4KDM4E
SCHEMBL20139966 0.85 MTOR (0.61) MTORRPTORMLST8GPR6KDM4E

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