SCHEMBL23916887

SCHEMBL23916887

O=C(Nc1cc2cc(-c3nnc(C(F)(F)F)s3)ccc2cn1)c1ccnc(N2CCN(I)CC2)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 16/20 0.87
DYRK1A Q13627 19/20 0.71
GSK3B P49841 12/20 0.68
CLK2 P49760 2/20 0.59
CLK3 P49761 2/20 0.59

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
SCHEMBL19516604 0.93 WNT1 (1.00) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL32664908 0.93 WNT1 (1.00) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL23916356 0.88 DYRK1A (0.87) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL23916402 0.83 DYRK1A (0.86) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL23916487 0.83 DYRK1A (0.86) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL32665248 0.83 DYRK1A (1.00) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL19516496 0.83 DYRK1A (1.00) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL20948442 0.83 WNT1 (0.81) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL23048842 0.82 DYRK1A (0.72) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL20947133 0.82 WNT1 (0.81) WNT1DYRK1AGSK3BCLK2CLK3

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