SCHEMBL23916704

SCHEMBL23916704

C=C(C)S/C(=N\C)c1ccc2cnc(NC(=O)c3ccnc(N4CCC(N(C)C)CC4)c3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.64
GSK3B P49841 13/20 0.64
WNT1 P04628 13/20 0.64
CLK2 P49760 2/20 0.64
CLK3 P49761 2/20 0.64

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
SCHEMBL20030524 0.82 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048932 0.80 DYRK1A (0.66) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20227172 0.80 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916824 0.79 DYRK1A (0.63) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546551 0.79 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916459 0.79 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916728 0.79 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916373 0.78 DYRK1A (0.72) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516392 0.78 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL32665038 0.78 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3

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