SCHEMBL13987028

SCHEMBL13987028

CCNc1nccc(-c2cc(C(=O)NCCCNC3CCCCC3)c(=O)[nH]n2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.56
▸ CXCR4 P61073 2/20 0.43
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT3 Q9Y243 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TYRO3 Q06418 5/20 0.36
▸ ITGB3 P05106 2/20 0.35
▸ ITGA2B P08514 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ SELP P16109 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ BRAF P15056 1/20 0.34

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
SCHEMBL13987026 0.79 GSK3B (0.52) GSK3BCXCR4KMT2AKDM4EMAPK1
SCHEMBL2947276 0.76 GSK3B (0.52) GSK3BAKT3PDPK1CDC7BRAF
SCHEMBL4853882 0.75 GSK3B (0.55) GSK3BKMT2AAKT3
SCHEMBL2946867 0.75 GSK3B (0.49) GSK3BKMT2AKDM4EPDPK1
SCHEMBL13987017 0.75 GSK3B (0.67) GSK3BKDM4ETYRO3
SCHEMBL13987018 0.73 GSK3B (0.53) GSK3BCXCR4KMT2AMAPK1PARP1
SCHEMBL13987027 0.72 GSK3B (1.00) GSK3BKDM4ETYRO3CNR2
SCHEMBL13987029 0.71 GSK3B (0.65) GSK3BAKT3PARP1CNR2
SCHEMBL4857179 0.71 GSK3B (0.65) GSK3BPDPK1CDC7
SCHEMBL4856852 0.71 GSK3B (0.66) GSK3BTYRO3PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 — — US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 — — US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 — — US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 — — US disclosed
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