SCHEMBL5237798

SCHEMBL5237798

CNc1nccc(-c2cc(OC(=O)NCc3ccc(Cl)cc3)c(=O)[nH]n2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT3 Q9Y243 6/20 0.44
▸ DYRK1A Q13627 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ DYRK1B Q9Y463 2/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ RAF1 P04049 2/20 0.41
▸ BRAF P15056 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ GPR39 O43194 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ TPX2 Q9ULW0 1/20 0.37
▸ JAK2 O60674 2/20 0.37

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
SCHEMBL5234145 0.91 DYRK1A (0.44) AKT3DYRK1ACLK4DYRK1BCLK1
SCHEMBL4848234 0.84 GSK3B (0.56) AKT3DYRK1ACLK4DYRK1BCLK1
SCHEMBL5243212 0.83 GSK3B (0.45) MAPTGSK3BMEN1KMT2A
SCHEMBL5233270 0.81 EIF2AK2 (0.47) RAF1BRAFSYKAURKB
SCHEMBL5234548 0.79 MAPT (0.49) MAPTGSK3B
SCHEMBL5229836 0.77 GSK3B (0.52) MAPTGSK3BMEN1KMT2A
SCHEMBL5244050 0.77 GSK3B (0.61) AKT3DYRK1ACLK4DYRK1BCLK1
SCHEMBL5228636 0.77 GSK3B (0.48) MAPTGSK3BMEN1KMT2A
SCHEMBL5231030 0.76 GSK3B (0.55) MAPTGSK3BMEN1KMT2A
SCHEMBL5227844 0.75 GSK3B (0.57) MAPTGSK3BMEN1KMT2A

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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