SCHEMBL23916786

SCHEMBL23916786

C=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.81
WNT1 P04628 17/20 0.81
GSK3B P49841 16/20 0.81
CLK2 P49760 2/20 0.64
CLK3 P49761 2/20 0.64
LRRK2 Q5S007 1/20 0.54

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
SCHEMBL19547083 0.92 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19547058 0.91 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916610 0.91 DYRK1A (0.70) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19516521 0.90 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916796 0.89 DYRK1A (0.68) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546795 0.89 DYRK1A (0.82) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546928 0.88 DYRK1A (0.82) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916129 0.88 DYRK1A (0.82) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546622 0.87 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546801 0.87 DYRK1A (0.94) 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