SCHEMBL20149906

SCHEMBL20149906

Cc1cc(C)c(C(=O)N2CCN(c3ncccc3SN)CC2)c(C)c1NC1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.54
RPTOR Q8N122 4/20 0.54
MLST8 Q9BVC4 4/20 0.54
MALT1 Q9UDY8 7/20 0.45
TRPA1 O75762 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
RBP4 P02753 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
SCHEMBL20133783 0.89 MTOR (0.60) MTORRPTORMLST8MALT1TRPA1
SCHEMBL20133581 0.87 MTOR (0.62) MTORRPTORMLST8MALT1TRPA1
SCHEMBL20149900 0.86 MTOR (0.75) MTORRPTORMLST8
SCHEMBL20149904 0.85 MTOR (0.52) MTORRPTORMLST8MALT1
SCHEMBL20133576 0.85 MTOR (0.75) MTORRPTORMLST8MALT1TRPA1
SCHEMBL20133849 0.84 MTOR (0.57) MTORRPTORMLST8MALT1
SCHEMBL20133577 0.83 MALT1 (0.53) MTORRPTORMLST8MALT1TRPV1
SCHEMBL20133684 0.83 MTOR (0.65) MTORRPTORMLST8MALT1TRPA1
SCHEMBL21340096 0.83 MTOR (0.65) MTORRPTORMLST8MALT1TRPA1
SCHEMBL20141044 0.83 MTOR (0.65) MTORRPTORMLST8MALT1TRPA1

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