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SCHEMBL21331

SCHEMBL21331

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.42
▸ MTOR P42345 2/20 0.37
▸ RPTOR Q8N122 2/20 0.37
▸ MLST8 Q9BVC4 2/20 0.37
▸ JAK1 P23458 1/20 0.32
▸ TTK P33981 1/20 0.30
▸ RET P07949 1/20 0.30
▸ KIF5B P33176 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ ETV6 P41212 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ CCDC6 Q16204 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
SCHEMBL15007358 0.92 DGAT1 (0.42) DGAT1MTORRPTORMLST8JAK1
SCHEMBL21035 0.92 DGAT1 (0.42) DGAT1MTORRPTORMLST8JAK1
SCHEMBL15031469 0.86 DGAT1 (0.42) DGAT1MTORRPTORMLST8TTK
SCHEMBL20525 0.86 DGAT1 (0.42) DGAT1MTORRPTORMLST8TTK
SCHEMBL20438 0.86 DGAT1 (0.38) DGAT1MTORRPTORMLST8
SCHEMBL7882528 0.85 DGAT1 (0.42) DGAT1MTORRPTORMLST8JAK1
SCHEMBL7874673 0.85 DGAT1 (0.41) DGAT1MTORRPTORMLST8JAK1
SCHEMBL21266 0.83 DGAT1 (0.37) DGAT1MTORRPTORMLST8RET
SCHEMBL20153 0.83 DGAT1 (0.37) DGAT1MTORRPTORMLST8RET
SCHEMBL7886478 0.82 DGAT1 (0.38) DGAT1MTORRPTORMLST8

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-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 — — WO disclosed