SCHEMBL13897705

SCHEMBL13897705

CC(C)(C)[Si](C)(C)OC(=O)c1cnc(Nc2cccc([N+](=O)[O-])c2)nc1NCCCNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 18/20 0.46
TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL13897596 0.89 SIRT5 (0.48) SIRT5TBK1
SCHEMBL13897741 0.88 SIRT5 (0.46) SIRT5TBK1
SCHEMBL3865708 0.88 SIRT5 (0.49) SIRT5TBK1
SCHEMBL13897635 0.86 SIRT5 (0.48) SIRT5TBK1
SCHEMBL13897419 0.83 TBK1 (0.45) SIRT5TBK1
SCHEMBL6452492 0.79 TBK1 (0.45) SIRT5TBK1
SCHEMBL3880478 0.78 MAPT (0.39) TBK1
SCHEMBL3864678 0.77 TBK1 (0.38) SIRT5TBK1
SCHEMBL3864671 0.77 TBK1 (0.38) SIRT5TBK1
SCHEMBL3865668 0.71 TLR8 (0.49) SIRT5TBK1

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-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed