SCHEMBL23048684

SCHEMBL23048684

CC(=N)SC(=N)c1ccc2cnc(NC(=O)c3cccc(N4CCN(C)CC4)c3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.65
WNT1 P04628 13/20 0.65
GSK3B P49841 11/20 0.65
CLK2 P49760 4/20 0.48
CLK3 P49761 4/20 0.48
DYRK3 O43781 1/20 0.47
CSNK1E P49674 1/20 0.47
CLK1 P49759 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK4 Q9NR20 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL23048900 0.83 DYRK1A (0.66) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048702 0.83 DYRK1A (0.64) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916295 0.82 DYRK1A (0.67) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916587 0.81 DYRK1A (0.63) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048703 0.80 DYRK1A (0.64) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916141 0.79 DYRK1A (0.63) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19516990 0.79 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048650 0.78 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19546937 0.77 DYRK1A (0.67) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916556 0.77 DYRK1A (0.75) 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