SCHEMBL23987063

SCHEMBL23987063

Cc1nc2ccc(C=C3C4CCCC3C4)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 4/20 0.49
▸ DYRK1A Q13627 4/20 0.49
▸ CLK4 Q9HAZ1 4/20 0.49
▸ DYRK1B Q9Y463 4/20 0.49
▸ DYRK3 O43781 3/20 0.49
▸ CLK2 P49760 3/20 0.49
▸ DYRK2 Q92630 3/20 0.49
▸ CLK3 P49761 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 2/20 0.39

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
SCHEMBL23987071 0.76 DYRK1A (0.51) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL4533808 0.74 SMN1; SMN2 (0.56) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL30224526 0.74 SMN1; SMN2 (0.56) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL24444859 0.72 SMN1; SMN2 (0.50) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL26457407 0.72 NPC1 (0.44) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL26493523 0.69 EGFR (0.42) —
SCHEMBL27936386 0.68 SMN1; SMN2 (0.53) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL23987183 0.67 CLK1 (0.62) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL30145000 0.67 CLK1 (0.62) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL28820698 0.66 SMN1; SMN2 (0.50) CLK1DYRK1ACLK4DYRK1BDYRK3

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
WO-2021219828-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2021-11-04 — — WO disclosed
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