SCHEMBL23048802

SCHEMBL23048802

C=C(N)N/C(=C\C)c1ccc2cnc(NC(=C)c3ccnc(N4CC(N(C)C)C4)c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.52
WNT1 P04628 15/20 0.52
GSK3B P49841 13/20 0.52
CLK2 P49760 3/20 0.43
CLK3 P49761 3/20 0.43

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
SCHEMBL23916762 0.86 DYRK1A (0.53) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916818 0.80 DYRK1A (0.48) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916277 0.79 DYRK1A (0.52) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916379 0.78 DYRK1A (0.52) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546550 0.78 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916165 0.78 DYRK1A (0.68) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916315 0.76 DYRK1A (0.82) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916648 0.76 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546612 0.76 DYRK1A (0.82) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048740 0.76 DYRK1A (0.65) 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-3448386-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED LLC (US) 2021-03-03 EP disclosed