SCHEMBL23916117

SCHEMBL23916117

C=C(Nc1cc2cc(-c3cnc(C)n3C)ccc2cn1)c1ccnc(CC2CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.55
GSK3B P49841 17/20 0.55
WNT1 P04628 10/20 0.55
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49

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
SCHEMBL20227159 0.90 DYRK1A (0.66) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916074 0.88 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916597 0.87 DYRK1A (0.55) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916146 0.87 GSK3B (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916657 0.80 GSK3B (0.60) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546602 0.79 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916606 0.79 DYRK1A (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546669 0.79 DYRK1A (0.80) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546557 0.78 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916625 0.77 DYRK1A (0.81) DYRK1AGSK3BWNT1CLK2CLK3

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