SCHEMBL28945501

SCHEMBL28945501

O=C1NC(N[C@H]2CCC[C@H](O)C2)=N/C1=C\c1ccc2ncsc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 20/20 0.58
CLK4 Q9HAZ1 20/20 0.58
CLK2 P49760 19/20 0.58
DYRK3 O43781 18/20 0.58
DYRK1A Q13627 18/20 0.58
DYRK2 Q92630 18/20 0.58
DYRK1B Q9Y463 18/20 0.58
CLK3 P49761 16/20 0.58
DYRK4 Q9NR20 15/20 0.58
GSK3B P49841 12/20 0.58
CSNK1E P49674 1/20 0.51

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
SCHEMBL23970202 1.00 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL25590009 1.00 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL28945508 1.00 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL28945515 0.98 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL23970204 0.98 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL23970256 0.98 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL28964076 0.98 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL30144959 0.93 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL28945444 0.93 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A
SCHEMBL30144893 0.93 CLK1 (0.58) CLK1CLK4CLK2DYRK3DYRK1A

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
CN-115515953-A Novel imidazolidinone derivatives as inhibitors of protein kinases, in particular DYRK1A, CLK1 and/or CLK4 珀哈制药公司 2022-12-23 CN disclosed