SCHEMBL23916731

SCHEMBL23916731

C=C/C=C(\SC(=C)N)c1ccc2cnc(NC(=O)c3ccc(CN(C)C)cc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.54
GSK3B P49841 10/20 0.54
WNT1 P04628 4/20 0.54
CLK2 P49760 2/20 0.54
CLK3 P49761 2/20 0.54
ABL1 P00519 1/20 0.43
F10 P00742 4/20 0.42
KLKB1 P03952 3/20 0.42
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
FOXO1 Q12778 1/20 0.37

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
SCHEMBL23916692 0.82 DYRK1A (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916299 0.81 DYRK1A (0.56) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048816 0.78 DYRK1A (0.56) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048777 0.75 DYRK1A (0.60) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048888 0.73 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540380 0.71 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546802 0.71 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540255 0.70 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516591 0.70 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540415 0.69 GSK3B (0.75) 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