SCHEMBL23916372

SCHEMBL23916372

Nc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(I)CC5)c4)cc3c2)s1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.86
WNT1 P04628 13/20 0.86
GSK3B P49841 8/20 0.86
CLK2 P49760 4/20 0.86
CLK3 P49761 4/20 0.86

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
SCHEMBL19540267 0.93 DYRK1A (0.85) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL30003113 0.92 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19517379 0.92 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540184 0.91 DYRK1A (0.85) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540449 0.91 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540185 0.90 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540187 0.89 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540451 0.88 DYRK1A (0.79) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540470 0.88 DYRK1A (0.77) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048691 0.88 DYRK1A (0.79) 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