SCHEMBL23916309

SCHEMBL23916309

C=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)c1ccc2c(c1)CCN(C)C2

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.69
GSK3B P49841 19/20 0.69
WNT1 P04628 14/20 0.69
CLK2 P49760 3/20 0.69
CLK3 P49761 3/20 0.69

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
SCHEMBL23916763 0.93 GSK3B (0.80) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540408 0.90 DYRK1A (0.86) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916205 0.87 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546785 0.85 GSK3B (0.80) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19547066 0.84 GSK3B (0.80) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546882 0.82 GSK3B (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516406 0.82 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916836 0.82 GSK3B (0.81) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546626 0.81 GSK3B (0.80) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916593 0.81 GSK3B (0.57) 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