SCHEMBL23916168

SCHEMBL23916168

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.56
WNT1 P04628 10/20 0.56
CLK2 P49760 3/20 0.56
CLK3 P49761 3/20 0.56
GSK3B P49841 9/20 0.51
ABL1 P00519 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
KLF5 Q13887 1/20 0.40

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
SCHEMBL23916299 0.82 DYRK1A (0.56) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916678 0.79 DYRK1A (0.59) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916131 0.76 DYRK1A (0.62) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23048884 0.76 DYRK1A (0.58) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23048650 0.76 DYRK1A (0.61) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916602 0.76 DYRK1A (0.56) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19540167 0.73 DYRK1A (0.65) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL23916618 0.72 DYRK1A (0.53) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19540237 0.72 DYRK1A (0.75) DYRK1AWNT1CLK2CLK3GSK3B
SCHEMBL19540157 0.72 DYRK1A (0.82) 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