SCHEMBL5235357

SCHEMBL5235357

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.66
▸ MERTK Q12866 3/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ TYRO3 Q06418 2/20 0.44
▸ GAS6 Q14393 2/20 0.44
▸ EIF2AK2 P19525 2/20 0.44
▸ CDK2 P24941 4/20 0.43
▸ CLK1 P49759 4/20 0.43
▸ DYRK1A Q13627 3/20 0.43
▸ CLK4 Q9HAZ1 3/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ CLK3 P49761 2/20 0.43
▸ DYRK1B Q9Y463 2/20 0.43
▸ FAAH O00519 1/20 0.42
▸ EPHX1 P07099 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ NCOR1 O75376 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38

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
SCHEMBL5230846 0.92 GSK3B (0.76) GSK3BMERTKFLT3TYRO3GAS6
SCHEMBL5656460 0.86 GSK3B (0.85) GSK3BMERTKFLT3TYRO3GAS6
SCHEMBL5244050 0.82 GSK3B (0.61) GSK3BEIF2AK2CDK2CLK1DYRK1A
SCHEMBL13987027 0.80 GSK3B (1.00) GSK3BMERTKFLT3TYRO3GAS6
SCHEMBL5234145 0.78 DYRK1A (0.44) GSK3BCDK2CLK1DYRK1ACLK4
SCHEMBL5243802 0.77 GSK3B (0.55) GSK3BMAPK1
SCHEMBL5232027 0.77 EPHX1 (0.51) GSK3BEPHX1NOTUMHTTALDH1A1
SCHEMBL5237798 0.74 AKT3 (0.44) GSK3BCLK1DYRK1ACLK4CLK2
SCHEMBL4857179 0.73 GSK3B (0.65) GSK3BMERTKEIF2AK2
SCHEMBL4856852 0.72 GSK3B (0.66) GSK3BMERTKFLT3TYRO3GAS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 — — EP claimed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 — — EP claimed
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