SCHEMBL3345811

SCHEMBL3345811

COc1cnc2ccc(F)c(Br)c2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
EGFR P00533 1/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
CSF1R P07333 3/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.33
MAP4K4 O95819 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
PIK3CA P42336 1/20 0.33
ERN1 O75460 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
SCHEMBL29692870 0.87 EGFR (0.41) KCNH2EGFR
SCHEMBL592407 0.87 EGFR (0.41) KCNH2EGFR
SCHEMBL2821252 0.82 PDGFRB (0.36) PDGFRBPDGFRACSF1RMAP4K4NPC1
SCHEMBL18544262 0.82 PDGFRB (0.36) KCNH2PDGFRBPDGFRACSF1RMAP4K4
SCHEMBL3346945 0.81 ERN1 (0.44) PDGFRBPDGFRACSF1RMAP4K4NPC1
SCHEMBL2821504 0.80 KCNH2 (0.37) KCNH2PDGFRBPDGFRACSF1R
SCHEMBL22996915 0.78 KCNH2 (0.37) KCNH2PDGFRBPDGFRACSF1R
SCHEMBL20687532 0.78 PDGFRB (0.34) KCNH2PDGFRBPDGFRACSF1RCYP11B2
SCHEMBL14993933 0.77 CSF1R (0.33) KCNH2PDGFRBPDGFRACSF1RMAP4K4
SCHEMBL18544261 0.77 KCNH2 (0.37) KCNH2PDGFRBPDGFRACSF1RMAP4K4

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