SCHEMBL7283402

SCHEMBL7283402

O=Cc1cccc2ncc(-c3ccccc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.50
MAPK10 P53779 1/20 0.50
PSMB5 P28074 1/20 0.50
AXL P30530 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
KCNH2 Q12809 1/20 0.42
ERN1 O75460 1/20 0.41
MAP4K4 O95819 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK8 P49336 1/20 0.40
TNIK Q9UKE5 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
SCHEMBL9468077 0.86 MAP4K4 (0.43) METMAPK10PIK3CDPIK3CAMTOR
SCHEMBL9060837 0.86 MAPK10 (0.45) METMAPK10MAP4K4NPC1RAB9A
SCHEMBL8867498 0.84 MAPK10 (0.50) METMAPK10PSMB5AXLPIK3CD
SCHEMBL9148740 0.83 MAPK10 (0.49) METMAPK10PSMB5AXLPIK3CD
SCHEMBL8681101 0.79 PIK3CA (0.56) MAPK10PIK3CAMAP4K4PTPN1PTPN2
SCHEMBL8867238 0.78 ERN1 (0.40) ERN1SMN1; SMN2PDGFRA
SCHEMBL27442849 0.78 ERN1 (0.47) METMAPK10ERN1NPC1RAB9A
SCHEMBL8867491 0.77 HTT (0.41) ERN1NPC1RAB9A
SCHEMBL8867707 0.77 KMT2A (0.46) ERN1NPC1RAB9A
SCHEMBL27538705 0.77 ERN1 (0.33) METMAPK10AXLPIK3CDPIK3CA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650514-A 3-substituted quinoline-5-carboxylic acid derivatives and processes for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1997-07-22 US disclosed
EP-0622366-B1 Condensed quinolyl-dihydropyridines, process for their preparation and their use in medicine for the treatment of heart-circulatory illnesses BAYER AG (DE) 1996-12-04 EP disclosed
EP-0515940-B1 New 2-amino-5-cyano-1,4-dihydropyridines, process for their preparation and use in pharmaceutical compositions BAYER AG (DE) 1996-07-17 EP disclosed
US-5514803-A CARDIOVASCULAR CIRCULATORY DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed
US-5508406-A FOR TREATING CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
US-5502062-A CARDIOVASCULAR DISORDERS, MYOCARDIAL CONTRACTILITY BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
CN-1116622-A 3-substituted quinoline-5-carboxylic acid derivatives and process for producing the same BAYER AG (DE) 1996-02-14 CN disclosed
EP-0694534-A1 3-Substituted quinoline-5-carboxylic acid derivatives and processes for their preparation BAYER AG (DE) 1996-01-31 EP disclosed
US-5436342-A Cardiovascular disorders and muscular disorders BAYER AKTIENGELSELLSCHAFT (DE) 1995-07-25 US disclosed
US-5432282-A Cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
EP-0622369-A2 2-Amino-4-quinoline-dihydropyridine, process for preparation and use thereof BAYER AG (DE) 1994-11-02 EP disclosed
EP-0622364-A2 2,6-Disubstituted-4-quinolyl-dihydropyridines BAYER AG (DE) 1994-11-02 EP disclosed
EP-0538690-B1 Arylquinoline substituted 1,4-dihydropyridine dicarboxylic derivatives, process for their preparation and their use as drugs BAYER AG (DE) 1994-09-28 EP disclosed
US-5262429-A CARDIOTONIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed
US-5225558-A Cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0538690-A1 Arylquinoline substituted 1,4-dihydropyridine dicarboxylic derivatives, process for their preparation and their use as drugs BAYER AG (DE) 1993-04-28 EP disclosed
US-5204472-A For preparing inotropic agents; substituted dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1993-04-20 US disclosed
EP-0515940-A1 New 2-amino-5-cyano-1,4-dihydropyridines, process for their preparation and use in pharmaceutical compositions BAYER AG (DE) 1992-12-02 EP disclosed
US-5100900-A Inotropic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0452712-A1 4-Quinolyl-dihydropyridines, process for their prepatation and their use in medicaments BAYER AG (DE) 1991-10-23 EP disclosed