SCHEMBL20149890

SCHEMBL20149890

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)C(CO)C2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.77
RPTOR Q8N122 9/20 0.77
MLST8 Q9BVC4 9/20 0.77
FASN P49327 2/20 0.37
USP30 Q70CQ3 2/20 0.36
DPP4 P27487 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL20133742 1.00 MTOR (0.77) MTORRPTORMLST8FASNUSP30
SCHEMBL20133667 1.00 MTOR (0.77) MTORRPTORMLST8FASNUSP30
SCHEMBL20133841 0.90 MTOR (0.79) MTORRPTORMLST8DPP4HCRTR1
SCHEMBL20133536 0.90 MTOR (0.79) MTORRPTORMLST8DPP4HCRTR1
SCHEMBL20142369 0.90 MTOR (0.79) MTORRPTORMLST8DPP4HCRTR1
SCHEMBL22693153 0.90 MTOR (0.81) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL21360293 0.90 MTOR (0.81) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20141042 0.90 MTOR (0.81) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133712 0.90 MTOR (0.62) MTORRPTORMLST8FASNIRAK4
SCHEMBL20133838 0.90 MTOR (0.62) MTORRPTORMLST8FASNIRAK4

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