SCHEMBL3345823

SCHEMBL3345823

O=c1cnc2ccc(F)c(Br)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
HCAR1 Q9BXC0 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4A O75164 1/20 0.31
POLB P06746 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
DAO P14920 2/20 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
SCHEMBL704132 0.82 MAPKAPK2 (0.39) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL24156864 0.79 MAPKAPK2 (0.37) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL30218628 0.79 MAPKAPK2 (0.37) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL2825718 0.79 DAO (0.47) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL30297078 0.75 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL30297088 0.75 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL2800776 0.71 CA12 (0.50) MAPKAPK2RPS6KA3CSNK2A1PLK3HCAR1
SCHEMBL2820360 0.71 CA12 (0.58) HCAR1ALDH1A1CA12CA9
SCHEMBL15231476 0.70 CASP3 (0.37) HCAR1DAO
SCHEMBL22193197 0.68 PDE3B (0.43) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1

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