SCHEMBL23916785

SCHEMBL23916785

C=C(Nc1cc2cc(-c3cnc(C)n3C)ccc2cn1)c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.61
WNT1 P04628 9/20 0.61
GSK3B P49841 15/20 0.58
CLK2 P49760 1/20 0.53
CLK3 P49761 1/20 0.53

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
SCHEMBL19540095 0.90 DYRK1A (0.75) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048706 0.88 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916557 0.87 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916841 0.86 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916625 0.86 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546746 0.84 DYRK1A (0.80) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916647 0.83 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916701 0.82 DYRK1A (0.58) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916849 0.82 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048813 0.82 DYRK1A (0.60) DYRK1AWNT1GSK3BCLK2CLK3

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