SCHEMBL23916840

SCHEMBL23916840

Nc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(C5=CCN(I)CC5)c4)cc3c2)s1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.65
WNT1 P04628 15/20 0.65
GSK3B P49841 12/20 0.65
CLK2 P49760 5/20 0.64
CLK3 P49761 5/20 0.64

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
SCHEMBL19540444 0.91 DYRK1A (0.79) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916825 0.84 GSK3B (0.85) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916304 0.83 GSK3B (0.84) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916369 0.82 DYRK1A (0.84) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916455 0.82 DYRK1A (0.60) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916869 0.82 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916372 0.82 DYRK1A (0.86) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916920 0.82 GSK3B (0.69) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916222 0.82 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540267 0.80 DYRK1A (0.85) DYRK1AWNT1GSK3BCLK2CLK3

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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed