SCHEMBL3346945

SCHEMBL3346945

COc1cnc2ccc(F)c(O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
PDGFRB P09619 7/20 0.38
PDGFRA P16234 7/20 0.38
RPS6KA3 P51812 1/20 0.38
PIK3CA P42336 1/20 0.35
CSF1R P07333 1/20 0.34
MAP4K4 O95819 1/20 0.33
AMY1A P0DUB6 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL29692876 0.87 ERN1 (0.44) ERN1PDGFRBPDGFRARPS6KA3
SCHEMBL2490082 0.87 ERN1 (0.44) ERN1PDGFRBPDGFRARPS6KA3
SCHEMBL18544262 0.82 PDGFRB (0.36) ERN1PDGFRBPDGFRAPIK3CACSF1R
SCHEMBL2821252 0.82 PDGFRB (0.36) ERN1PDGFRBPDGFRAPIK3CACSF1R
SCHEMBL3618668 0.81 CSF1R (0.35) PDGFRBPDGFRACSF1RAMY1ANPC1
SCHEMBL3345811 0.81 KCNH2 (0.36) ERN1PDGFRBPDGFRAPIK3CACSF1R
SCHEMBL22996915 0.78 KCNH2 (0.37) PDGFRBPDGFRACSF1R
SCHEMBL20687532 0.78 PDGFRB (0.34) ERN1PDGFRBPDGFRAPIK3CACSF1R
SCHEMBL2169114 0.77 ERN1 (0.41) ERN1PDGFRBPDGFRAPIK3CACSF1R
SCHEMBL2821504 0.77 KCNH2 (0.37) PDGFRBPDGFRACSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed