SCHEMBL17399362

SCHEMBL17399362

CC(C)(C)OC(=O)N1C2CC[C@@H]1CC(c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c1C=O)C2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.45
RPTOR Q8N122 5/20 0.45
MLST8 Q9BVC4 5/20 0.45
DGAT1 O75907 5/20 0.37
EIF2AK4 Q9P2K8 1/20 0.32
GPR119 Q8TDV5 3/20 0.31
HPGDS O60760 1/20 0.30

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
SCHEMBL2148121 1.00 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL2148126 1.00 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL2147099 0.94 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL2147102 0.94 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL17399371 0.94 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL2147742 0.92 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL17399399 0.92 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL2148156 0.92 MTOR (0.45) MTORRPTORMLST8DGAT1EIF2AK4
SCHEMBL2724052 0.92 MTOR (0.48) MTORRPTORMLST8DGAT1
SCHEMBL15807825 0.92 MTOR (0.43) MTORRPTORMLST8DGAT1EIF2AK4

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
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed