SCHEMBL1116042

SCHEMBL1116042

COc1ccc(C#N)cc1-c1ccc(/C=C2\N=C(N)N(C)C2=O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ CLK1 P49759 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ DYRK2 Q92630 2/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK4 Q9NR20 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ EP300 Q09472 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36

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
SCHEMBL1116044 1.00 PIK3CG (0.40) PIK3CGPIK3CACLK1CLK2DYRK2
SCHEMBL6859235 1.00 PIK3CG (0.40) PIK3CGPIK3CACLK1CLK2DYRK2
SCHEMBL6858741 0.87 CLK1 (0.41) PIK3CGCLK1CLK2DYRK2DYRK3
SCHEMBL1116039 0.80 MAPT (0.41) PIK3CGCLK1CLK2DYRK2DYRK3
SCHEMBL1116038 0.80 MAPT (0.41) PIK3CGCLK1CLK2DYRK2DYRK3
SCHEMBL1228108 0.77 HTRA2 (0.55) CLK1CLK2DYRK2DYRK3GSK3A
SCHEMBL1228111 0.77 HTRA2 (0.55) CLK1CLK2DYRK2DYRK3GSK3A
SCHEMBL1116259 0.74 CLK1 (0.38) PIK3CGCLK1CLK2DYRK2DYRK3
SCHEMBL1116258 0.74 CLK1 (0.38) PIK3CGCLK1CLK2DYRK2DYRK3
SCHEMBL1115930 0.69 MAPT (0.51) CLK1CLK2DYRK2DYRK3GSK3A

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
WO-2011015646-A2 FURAN-IMIDAZOLONE DERIVATIVES, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2011-02-10 — — WO disclosed
EP-2281824-A1 Furan-imidazolone derivatives, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders NOSCIRA, S.A. (ES) 2011-02-09 — — EP disclosed
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