SCHEMBL23048907

SCHEMBL23048907

C=C(S/C(C)=N\C)c1ccc2cnc(NC(=O)c3cccc(OC4CCN(C)CC4)c3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.64
GSK3B P49841 18/20 0.64
WNT1 P04628 14/20 0.64
CLK2 P49760 2/20 0.54
CLK3 P49761 2/20 0.54

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
SCHEMBL23916295 0.84 DYRK1A (0.67) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048888 0.81 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916427 0.81 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20227169 0.79 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048819 0.79 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048929 0.79 DYRK1A (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516506 0.78 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL22461726 0.78 DYRK1A (0.62) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916298 0.78 DYRK1A (0.42) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540360 0.77 DYRK1A (0.75) DYRK1AGSK3BWNT1CLK2CLK3

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