SCHEMBL23916291

SCHEMBL23916291

C=C(Nc1cc2cc(C3=CN=CC3)ccc2cn1)c1ccnc(N2CCC(N(C)C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.60
WNT1 P04628 14/20 0.60
GSK3B P49841 13/20 0.60
CLK2 P49760 2/20 0.60
CLK3 P49761 2/20 0.60

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
SCHEMBL23916373 0.91 DYRK1A (0.72) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916683 0.88 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546588 0.88 DYRK1A (0.71) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916722 0.85 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546552 0.85 DYRK1A (0.82) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546586 0.84 DYRK1A (0.56) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916482 0.84 DYRK1A (0.82) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916180 0.83 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19547076 0.83 DYRK1A (0.58) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916673 0.83 DYRK1A (0.56) 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