SCHEMBL5656460

SCHEMBL5656460

CCCCNc1nccc(-c2cc(C(=O)NCc3cccnc3)c(=O)[nH]n2)n1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.85
MERTK Q12866 4/20 0.53
TYRO3 Q06418 3/20 0.53
GAS6 Q14393 3/20 0.53
FLT3 P36888 2/20 0.53
EIF2AK2 P19525 2/20 0.46
CDK2 P24941 3/20 0.44
CLK1 P49759 3/20 0.44
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
SYK P43405 1/20 0.43
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42

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
SCHEMBL13987027 0.92 GSK3B (1.00) GSK3BMERTKTYRO3GAS6FLT3
SCHEMBL4856852 0.86 GSK3B (0.66) GSK3BMERTKTYRO3GAS6FLT3
SCHEMBL5235357 0.86 GSK3B (0.66) GSK3BMERTKTYRO3GAS6FLT3
SCHEMBL4857179 0.81 GSK3B (0.65) GSK3BMERTKEIF2AK2
SCHEMBL5230846 0.80 GSK3B (0.76) GSK3BMERTKTYRO3GAS6FLT3
SCHEMBL13987017 0.78 GSK3B (0.67) GSK3BMERTKTYRO3GAS6FLT3
SCHEMBL4853882 0.77 GSK3B (0.55) GSK3BCDK2CLK1DYRK1ACLK4
SCHEMBL5658993 0.76 GSK3B (0.73) GSK3B
SCHEMBL4854591 0.76 GSK3B (0.61) GSK3BRECQLALDH1A1HPGDKDM4E
SCHEMBL5233303 0.74 GSK3B (0.62) GSK3B

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 5 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
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed