SCHEMBL23916833

SCHEMBL23916833

Cn1cncc1-c1ccc2cnc(NC(=O)c3cccc(N4CCN(I)CC4)c3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.67
DYRK1A Q13627 20/20 0.67
WNT1 P04628 16/20 0.67
CLK2 P49760 3/20 0.63
CLK3 P49761 3/20 0.63

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
SCHEMBL19540430 0.94 DYRK1A (0.75) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19540291 0.91 GSK3B (0.74) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916773 0.86 DYRK1A (0.89) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19546945 0.84 DYRK1A (0.88) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916841 0.83 DYRK1A (0.61) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916389 0.82 GSK3B (0.66) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916556 0.82 DYRK1A (0.75) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20945326 0.80 GSK3B (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19517084 0.80 GSK3B (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916442 0.80 DYRK1A (0.89) GSK3BDYRK1AWNT1CLK2CLK3

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