SCHEMBL9954209

SCHEMBL9954209

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1cnnn1COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
AAK1 Q2M2I8 1/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 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
SCHEMBL9952816 0.80 DGAT1 (0.36)
SCHEMBL9952972 0.80 ALPL (0.33) ALPLAAK1PDGFRBKDR
SCHEMBL9953694 0.79 ALPL (0.34) ALPLAAK1PDGFRBKDR
SCHEMBL9954735 0.78 ALPL (0.33) ALPLAAK1
SCHEMBL9954978 0.76 ALPL (0.34) ALPLAAK1PDGFRBKDR
SCHEMBL31221734 0.73 GSK3A (0.34) AAK1
SCHEMBL24566554 0.72 GSK3A (0.33) AAK1
SCHEMBL24566823 0.72 DGAT1 (0.32)
SCHEMBL29705322 0.72 FFAR1 (0.33) ALPLAAK1PDGFRBKDR
SCHEMBL27215187 0.72 FFAR1 (0.33) ALPLAAK1PDGFRBKDR

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