SCHEMBL23916606

SCHEMBL23916606

C=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)c1ccnc(CC2CCN(C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.57
WNT1 P04628 19/20 0.57
GSK3B P49841 19/20 0.57
CLK2 P49760 3/20 0.53
CLK3 P49761 3/20 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
SCHEMBL23916643 0.92 GSK3B (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916146 0.92 GSK3B (0.57) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916327 0.90 DYRK1A (0.70) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916657 0.89 GSK3B (0.60) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916593 0.88 GSK3B (0.57) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916590 0.87 GSK3B (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916188 0.86 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916281 0.83 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19547058 0.82 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916335 0.81 GSK3B (0.79) 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