SCHEMBL9954978

SCHEMBL9954978

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1noc(=O)n1COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL9953536 0.81 DGAT1 (0.32)
SCHEMBL9953694 0.77 ALPL (0.34) ALPLPDGFRBKDRAAK1
SCHEMBL9954209 0.76 ALPL (0.34) ALPLPDGFRBKDRAAK1
SCHEMBL9952972 0.76 ALPL (0.33) ALPLPDGFRBKDRAAK1
SCHEMBL9954735 0.74 ALPL (0.33) ALPLAAK1
SCHEMBL25316750 0.71 NPC1 (0.35)
SCHEMBL30506908 0.71 NPC1 (0.35)
SCHEMBL23090811 0.71 DGAT1 (0.32) AAK1
SCHEMBL190276 0.70 DGAT1 (0.31) ALPLAAK1
SCHEMBL21463604 0.69 GSK3A (0.37) PDGFRBKDR

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed