SCHEMBL23916217

SCHEMBL23916217

C=C(Nc1cc2cc(-c3nnc(C)s3)ccc2cn1)c1ccnc(N2CCN(CCF)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.68
GSK3B P49841 14/20 0.68
WNT1 P04628 13/20 0.68

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
SCHEMBL19539958 0.91 DYRK1A (0.82) DYRK1AGSK3BWNT1
SCHEMBL23916484 0.84 DYRK1A (0.67) DYRK1AGSK3BWNT1
SCHEMBL19546879 0.84 DYRK1A (0.82) DYRK1AGSK3BWNT1
SCHEMBL23916609 0.84 DYRK1A (0.62) DYRK1AGSK3BWNT1
SCHEMBL23916709 0.82 DYRK1A (0.60) DYRK1AGSK3BWNT1
SCHEMBL19546612 0.82 DYRK1A (0.82) DYRK1AGSK3BWNT1
SCHEMBL19516162 0.81 GSK3B (0.85) DYRK1AGSK3BWNT1
SCHEMBL30005299 0.81 GSK3B (0.85) DYRK1AGSK3BWNT1
SCHEMBL19517451 0.81 DYRK1A (1.00) DYRK1AGSK3BWNT1
SCHEMBL23916356 0.79 DYRK1A (0.87) 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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 EP disclosed