SCHEMBL23916832

SCHEMBL23916832

Cc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CCN(I)CC5)c4)cc3c2)n1C

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.89
WNT1 P04628 12/20 0.89
GSK3B P49841 12/20 0.87
DYRK3 O43781 1/20 0.64
CSNK1E P49674 1/20 0.64
CLK1 P49759 1/20 0.64
CLK2 P49760 1/20 0.64
CLK3 P49761 1/20 0.64
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64
DYRK2 Q92630 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
DYRK4 Q9NR20 1/20 0.64
DYRK1B Q9Y463 1/20 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
SCHEMBL19516347 0.94 DYRK1A (1.00) DYRK1AWNT1GSK3BDYRK3CSNK1E
SCHEMBL19517431 0.93 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL30004047 0.93 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540097 0.91 DYRK1A (0.87) DYRK1AWNT1GSK3B
SCHEMBL19516581 0.91 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20916073 0.88 DYRK1A (0.84) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20916236 0.88 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20916225 0.87 DYRK1A (0.80) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916773 0.86 DYRK1A (0.89) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20916200 0.86 DYRK1A (0.79) DYRK1AWNT1GSK3B

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