SCHEMBL9953913

SCHEMBL9953913

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1ncon1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.40
AAK1 Q2M2I8 1/20 0.36
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34
DGAT1 O75907 2/20 0.33
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
SNCA P37840 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
SCHEMBL10289150 0.78 ALPL (0.39) ALPLAAK1PDGFRBKDRGSK3A
SCHEMBL9954053 0.77 ALPL (0.38) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL3668559 0.75 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL29504617 0.75 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL407919 0.75 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL29555798 0.75 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL23663237 0.74 ALPL (0.45) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL3673238 0.74 ALPL (0.45) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL110292 0.74 ALPL (0.45) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL17419148 0.74 ALPL (0.45) ALPLAAK1PDGFRBKDRDGAT1

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