SCHEMBL16229238

SCHEMBL16229238

COCCOC(=O)C1(OCCOC)CCC(c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.39
▸ RPTOR Q8N122 1/20 0.39
▸ MLST8 Q9BVC4 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
SCHEMBL15031525 0.93 MTOR (0.39) MTORRPTORMLST8
SCHEMBL15031511 0.92 MTOR (0.37) MTORRPTORMLST8
SCHEMBL15031453 0.90 DGAT1 (0.39) MTORRPTORMLST8
SCHEMBL15007530 0.89 DGAT1 (0.31) —
SCHEMBL15026300 0.89 DGAT1 (0.31) —
SCHEMBL15007529 0.89 DGAT1 (0.31) —
SCHEMBL16229240 0.88 — —
SCHEMBL16229239 0.88 — —
SCHEMBL16222860 0.88 DGAT1 (0.34) —
SCHEMBL15007378 0.87 MTOR (0.39) MTORRPTORMLST8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
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