SCHEMBL9953699

SCHEMBL9953699

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1-c1nnnn1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.38
AAK1 Q2M2I8 1/20 0.35
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
DGAT1 O75907 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9954053 0.79 ALPL (0.38) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL9954735 0.78 ALPL (0.33) ALPLAAK1
SCHEMBL3668559 0.75 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL29504617 0.75 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL9952722 0.74 HIF1A (0.40) SMN1; SMN2LRRK2ALDH1A1
SCHEMBL3220509 0.74 DGAT1 (0.44) SMN1; SMN2DGAT1IRAK4
SCHEMBL10289150 0.72 ALPL (0.39) ALPLAAK1PDGFRBKDRALDH1A1
SCHEMBL29555798 0.72 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL407919 0.72 ALPL (0.46) ALPLAAK1PDGFRBKDRDGAT1
SCHEMBL9953913 0.72 ALPL (0.40) 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