SCHEMBL23916670

SCHEMBL23916670

C/C=C(/Nc1cc2cc(-c3cnn(C)c3CN3CCCCC3)ccc2cn1)c1ccnc(C2=CCN(C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.56
DYRK1A Q13627 20/20 0.56
WNT1 P04628 19/20 0.56
CLK2 P49760 4/20 0.56
CLK3 P49761 4/20 0.56

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
SCHEMBL19540227 0.84 DYRK1A (0.72) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19540269 0.81 DYRK1A (0.73) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916407 0.78 DYRK1A (0.72) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23916637 0.77 DYRK1A (0.62) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19516299 0.76 DYRK1A (0.81) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL32665118 0.76 DYRK1A (0.81) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23048728 0.76 DYRK1A (0.60) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL24219472 0.74 GSK3B (0.66) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL24219544 0.74 GSK3B (0.70) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19546666 0.74 GSK3B (0.71) 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