SCHEMBL23916828

SCHEMBL23916828

C/C=C(/Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.61
GSK3B P49841 17/20 0.61
WNT1 P04628 15/20 0.61
CLK2 P49760 4/20 0.58
CLK3 P49761 4/20 0.58

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
SCHEMBL30695420 0.86 DYRK1A (0.79) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540259 0.86 DYRK1A (0.79) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916600 0.85 DYRK1A (0.77) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916596 0.84 DYRK1A (0.63) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916167 0.82 GSK3B (0.79) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916733 0.81 GSK3B (0.79) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048725 0.78 GSK3B (0.56) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30006478 0.78 GSK3B (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515904 0.78 GSK3B (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516288 0.76 GSK3B (1.00) DYRK1AGSK3BWNT1

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