SCHEMBL23916602

SCHEMBL23916602

CC(C)Oc1ccc(C(=O)Nc2cc3cc(/C(C=N)=C\CO)ccc3cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 14/20 0.56
WNT1 P04628 9/20 0.56
CLK2 P49760 3/20 0.56
CLK3 P49761 3/20 0.56
GSK3B P49841 8/20 0.51
ABL1 P00519 1/20 0.46
GCK P35557 3/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL23048771 0.85 DYRK1A (0.51) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916678 0.79 DYRK1A (0.59) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23048884 0.76 DYRK1A (0.58) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916168 0.76 DYRK1A (0.56) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19540261 0.75 DYRK1A (0.85) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19540157 0.74 DYRK1A (0.82) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19546878 0.74 DYRK1A (0.59) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19540167 0.73 DYRK1A (0.65) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19540237 0.72 DYRK1A (0.75) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916618 0.72 DYRK1A (0.53) DYRK1AWNT1CLK2CLK3GSK3B

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