SCHEMBL23048631

SCHEMBL23048631

CN(N)/C=C/c1ccc2cnc(NC(=O)c3ccnc(C4=CCN(C)CC4)c3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.65
WNT1 P04628 12/20 0.65
GSK3B P49841 11/20 0.65
CLK2 P49760 4/20 0.62
CLK3 P49761 4/20 0.62

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
SCHEMBL23916457 0.86 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048636 0.80 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL32665204 0.79 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19516400 0.79 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048806 0.79 DYRK1A (0.68) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540444 0.79 DYRK1A (0.79) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048741 0.78 DYRK1A (0.65) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540251 0.78 DYRK1A (0.75) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19516620 0.78 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546937 0.78 DYRK1A (0.67) 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