SCHEMBL23916939

SCHEMBL23916939

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.44
WNT1 P04628 8/20 0.44
CLK2 P49760 2/20 0.44
CLK3 P49761 2/20 0.44
ABL1 P00519 7/20 0.42
GSK3B P49841 5/20 0.40
F2 P00734 2/20 0.34
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 2/20 0.34
KLKB1 P03952 2/20 0.34
PRSS1 P07477 2/20 0.34
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL23916750 0.81 DYRK1A (0.44) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL23048669 0.79 NNMT (0.38) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL23916185 0.76 DYRK1A (0.37) DYRK1AWNT1ABL1GSK3B
SCHEMBL23916726 0.76 ABL1 (0.40) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL23048824 0.74 DYRK1A (0.54) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916770 0.74 DYRK1A (0.62) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916379 0.71 DYRK1A (0.52) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916678 0.69 DYRK1A (0.59) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL23916128 0.65 DYRK1A (0.41) DYRK1AWNT1CLK2CLK3ABL1
SCHEMBL19540167 0.64 DYRK1A (0.65) DYRK1AWNT1CLK2CLK3ABL1

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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed