SCHEMBL2357817

SCHEMBL2357817

CN(C(=O)O)c1cc(Nc2cc(Nc3ccccn3)c3ncc(C#N)n3n2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.38
▸ PDE4D Q08499 4/20 0.37
▸ GRM4 Q14833 1/20 0.33
▸ STAT3 P40763 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ HIPK2 Q9H2X6 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL3313799 0.85 TYK2 (0.40) TYK2PDE4DGRM4STAT3AURKA
SCHEMBL2359440 0.85 TYK2 (0.48) TYK2STAT3CDK2GSK3BHIPK2
SCHEMBL17849713 0.84 TYK2 (0.38) TYK2PDE4DGRM4CDK2GSK3B
SCHEMBL2358576 0.83 TYK2 (0.37) TYK2PDE4DGRM4
SCHEMBL3311950 0.79 DYRK3 (0.46) TYK2PDE4DAURKACDK2AURKB
SCHEMBL2358223 0.78 TYK2 (0.38) TYK2PDE4DCDK2GSK3BHIPK2
SCHEMBL3311783 0.76 TYK2 (0.39) TYK2PDE4DSTAT3
SCHEMBL2359458 0.75 TYK2 (0.49) TYK2PDE4DSTAT3CDK2GSK3B
SCHEMBL2357715 0.74 TYK2 (0.44) TYK2STAT3
SCHEMBL2358275 0.74 TYK2 (0.35) TYK2PDE4DCDK2MAPK8GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350081-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-08-03 — — EP disclosed
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