SCHEMBL23916945

SCHEMBL23916945

BC(B)(CC)N1CCN(c2cc(C(=O)Nc3cc4cc(/C(N)=C/N(C)N)ccc4cn3)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.51
WNT1 P04628 13/20 0.51
GSK3B P49841 8/20 0.51
CLK2 P49760 4/20 0.50
CLK3 P49761 4/20 0.50
DYRK3 O43781 1/20 0.49
CSNK1E P49674 1/20 0.49
CLK1 P49759 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
DYRK2 Q92630 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK4 Q9NR20 1/20 0.49
DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL23048782 0.88 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048851 0.86 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048738 0.85 DYRK1A (0.64) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916391 0.85 DYRK1A (0.64) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048932 0.84 DYRK1A (0.66) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048621 0.83 DYRK1A (0.64) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546667 0.82 DYRK1A (0.50) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916776 0.82 DYRK1A (0.50) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048740 0.82 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916481 0.81 DYRK1A (0.65) 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