SCHEMBL23916304

SCHEMBL23916304

O=C(Nc1cc2cc(-c3nncs3)ccc2cn1)c1ccnc(C2=CCN(I)CC2)c1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.84
DYRK1A Q13627 20/20 0.84
WNT1 P04628 18/20 0.84
CLK2 P49760 1/20 0.65
CLK3 P49761 1/20 0.65

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
SCHEMBL19516512 0.91 DYRK1A (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916825 0.87 GSK3B (0.85) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916840 0.83 DYRK1A (0.65) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916455 0.83 DYRK1A (0.60) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916920 0.82 GSK3B (0.69) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20950328 0.82 DYRK1A (0.83) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916369 0.82 DYRK1A (0.84) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20948735 0.81 DYRK1A (0.82) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916487 0.81 DYRK1A (0.86) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20948166 0.80 DYRK1A (0.80) 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