SCHEMBL23048901

SCHEMBL23048901

C=C/C=C(/c1ccc2cnc(NC(=O)c3ccnc(NCCN(C)C)c3)cc2c1)N(C)C=C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.59
WNT1 P04628 17/20 0.59
GSK3B P49841 14/20 0.59
CLK2 P49760 5/20 0.59
CLK3 P49761 5/20 0.59

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
SCHEMBL23916286 0.85 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916692 0.82 DYRK1A (0.57) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048756 0.80 DYRK1A (0.62) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048868 0.78 DYRK1A (0.57) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20227157 0.77 DYRK1A (0.58) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048564 0.76 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916414 0.75 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19537591 0.75 DYRK1A (0.68) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL32665501 0.75 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19516562 0.75 DYRK1A (1.00) 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