SCHEMBL23048816

SCHEMBL23048816

C=C(S/C(C)=N\C)c1ccc2cnc(NC(=O)c3ccc(CN(C)C)cc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.56
GSK3B P49841 10/20 0.56
WNT1 P04628 5/20 0.56
CLK2 P49760 3/20 0.56
CLK3 P49761 3/20 0.56
ABL1 P00519 1/20 0.44
F10 P00742 5/20 0.44
KLKB1 P03952 3/20 0.44
FOXO1 Q12778 1/20 0.38

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
SCHEMBL23916731 0.78 DYRK1A (0.54) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546936 0.78 HCAR3 (0.33) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048819 0.76 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740875 0.76 DYRK1A (0.32) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916692 0.75 DYRK1A (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916299 0.74 DYRK1A (0.56) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23741126 0.73 DYRK1A (0.56) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916735 0.73 DYRK1A (0.37) DYRK1AGSK3BWNT1ABL1
SCHEMBL23740951 0.72 GSK3B (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740979 0.72 GSK3B (0.58) DYRK1AGSK3BWNT1

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