SCHEMBL7874673

SCHEMBL7874673

Bc1c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3ccc(-c4ccccc4)nc3)c2nc1[C@H]1CC[C@H](C(O)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.41
MTOR P42345 3/20 0.39
RPTOR Q8N122 3/20 0.39
MLST8 Q9BVC4 3/20 0.39
JAK1 P23458 1/20 0.31
TTK P33981 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
SCHEMBL7874755 0.92 DGAT1 (0.40) DGAT1MTORRPTORMLST8TTK
SCHEMBL2679696 0.92 DGAT1 (0.40) DGAT1MTORRPTORMLST8TTK
SCHEMBL2679702 0.92 DGAT1 (0.40) DGAT1MTORRPTORMLST8TTK
SCHEMBL7886478 0.92 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL7882528 0.90 DGAT1 (0.42) DGAT1MTORRPTORMLST8JAK1
SCHEMBL2679979 0.85 DGAT1 (0.39) DGAT1MTORRPTORMLST8
SCHEMBL2679976 0.85 DGAT1 (0.39) DGAT1MTORRPTORMLST8
SCHEMBL20438 0.85 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL21331 0.85 DGAT1 (0.42) DGAT1MTORRPTORMLST8JAK1
SCHEMBL2727145 0.84 DGAT1 (0.42) DGAT1MTORRPTORMLST8JAK1

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed