SCHEMBL23916618

SCHEMBL23916618

C=C=CC(=C)c1ccc2cnc(NC(=O)c3ccc(OC(C)F)cc3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.53
GSK3B P49841 12/20 0.51
WNT1 P04628 9/20 0.51
CLK2 P49760 4/20 0.51
CLK3 P49761 4/20 0.51
ABL1 P00519 2/20 0.44
MTOR P42345 1/20 0.40

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
SCHEMBL19546878 0.81 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL22253223 0.79 DYRK1A (0.66) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916678 0.75 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546583 0.75 DYRK1A (0.89) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048863 0.75 DYRK1A (0.89) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916938 0.74 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048718 0.74 DYRK1A (0.71) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916860 0.74 DYRK1A (0.71) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048753 0.74 DYRK1A (0.90) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546981 0.74 DYRK1A (0.65) 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