SCHEMBL23916908

SCHEMBL23916908

C=C(Nc1cc2cc(-c3cnn(C)c3CO)ccc2cn1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.62
WNT1 P04628 15/20 0.62
GSK3B P49841 13/20 0.62
CLK2 P49760 5/20 0.62
CLK3 P49761 5/20 0.62
TTK P33981 3/20 0.49
ABL1 P00519 1/20 0.47

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
SCHEMBL19546917 0.92 DYRK1A (0.62) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540217 0.89 DYRK1A (0.77) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916595 0.87 DYRK1A (0.55) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546649 0.87 GSK3B (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916403 0.82 DYRK1A (0.68) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048581 0.80 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916758 0.77 DYRK1A (0.49) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23741622 0.77 DYRK1A (0.63) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19517202 0.77 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL22253225 0.77 DYRK1A (0.90) 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