SCHEMBL23916414

SCHEMBL23916414

C=C/C=C(/c1ccc2cnc(NC(=O)c3cccc(CN4CCCC4)c3)cc2c1)N(C)C=C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.61
WNT1 P04628 12/20 0.61
GSK3B P49841 12/20 0.61
CLK2 P49760 3/20 0.60
CLK3 P49761 3/20 0.60
HTR2C P28335 2/20 0.40
MCHR1 Q99705 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL20030376 0.82 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916692 0.80 DYRK1A (0.57) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048633 0.79 DYRK1A (0.57) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048703 0.78 DYRK1A (0.64) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL24219353 0.77 GSK3B (0.56) DYRK1AWNT1GSK3B
SCHEMBL23916586 0.77 DYRK1A (0.61) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL30003768 0.76 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19517385 0.76 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23048901 0.75 DYRK1A (0.59) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916189 0.75 DYRK1A (0.72) DYRK1AWNT1GSK3BCLK2CLK3

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