SCHEMBL9952972

SCHEMBL9952972

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1nnn(COCC[Si](C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.33
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
DGAT1 O75907 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
SCHEMBL9953694 0.86 ALPL (0.34) ALPLPDGFRBKDRAAK1DGAT1
SCHEMBL9959889 0.81 DGAT1 (0.35) DGAT1
SCHEMBL9954209 0.80 ALPL (0.34) ALPLPDGFRBKDRAAK1
SCHEMBL9954053 0.79 ALPL (0.38) ALPLPDGFRBKDRAAK1DGAT1
SCHEMBL9954978 0.76 ALPL (0.34) ALPLPDGFRBKDRAAK1
SCHEMBL9954735 0.76 ALPL (0.33) ALPLAAK1
SCHEMBL31221691 0.73 DGAT1 (0.34) PDGFRBKDRAAK1DGAT1
SCHEMBL31221734 0.72 GSK3A (0.34) AAK1DGAT1
SCHEMBL28575518 0.71 ALPL (0.39) ALPLPDGFRBKDRAAK1DGAT1
SCHEMBL30036821 0.71 ALPL (0.39) ALPLPDGFRBKDRAAK1DGAT1

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