SCHEMBL8967010

SCHEMBL8967010

O=C(O)Oc1cccc2ncc(-c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.44
MAPK10 P53779 2/20 0.43
PSMB5 P28074 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
AXL P30530 6/20 0.42
MAP4K4 O95819 1/20 0.42
CSNK1G2 P78368 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8966212 0.89 MET (0.45) METMAPK10PSMB5PDGFRBPDGFRA
SCHEMBL8966245 0.86 AXL (0.47) METMAPK10PSMB5PDGFRBPDGFRA
SCHEMBL8966261 0.83 PSMB5 (0.43) METPSMB5PDGFRBPDGFRAHTT
SCHEMBL1398196 0.81 CYP1A2 (0.41) HTTALDH1A1HPGDNPSR1PARP1
SCHEMBL9414452 0.80 EGLN1 (0.40) HTTALDH1A1MAPT
SCHEMBL8503300 0.79 KMT2A (0.45) PDGFRBPDGFRAAXLMAP4K4CSNK1G2
SCHEMBL9411413 0.79 PDE4B (0.43) HTTALDH1A1HPGDNPSR1MAPT
SCHEMBL8912395 0.77 DHODH (0.49) METMAPK10PSMB5AXLMAP4K4
SCHEMBL29213981 0.75 MET (0.41) METMAPK10PSMB5PDGFRBPDGFRA
SCHEMBL8912894 0.75 PARP1 (0.61) METMAPK10PSMB5AXLMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694534-A1 3-Substituted quinoline-5-carboxylic acid derivatives and processes for their preparation BAYER AG (DE) 1996-01-31 EP disclosed
EP-0452712-B1 4-Quinolyl-dihydropyridines, process for their prepatation and their use in medicaments BAYER AG (DE) 1995-04-19 EP disclosed
EP-0476474-B1 4-Amino-3-hydroxy-phthalide and a method for its preparation BAYER AG (DE) 1994-12-28 EP disclosed
EP-0593930-A1 3-Substituted quinoline-5-carboxylic acids BAYER AG (DE) 1994-04-27 EP disclosed
EP-0476474-A1 4-Amino-3-hydroxy-phthalide and a method for its preparation BAYER AG (DE) 1992-03-25 EP disclosed
EP-0452712-A1 4-Quinolyl-dihydropyridines, process for their prepatation and their use in medicaments BAYER AG (DE) 1991-10-23 EP disclosed