SCHEMBL23916595

SCHEMBL23916595

C=C(Nc1cc2cc(-c3cnn(C)c3C)ccc2cn1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.55
GSK3B P49841 6/20 0.55
WNT1 P04628 5/20 0.55
ABL1 P00519 11/20 0.52
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
TTK P33981 1/20 0.47

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
SCHEMBL19546917 0.87 DYRK1A (0.62) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL23916908 0.87 DYRK1A (0.62) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL23916758 0.87 DYRK1A (0.49) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546649 0.82 GSK3B (0.81) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916635 0.81 DYRK1A (0.47) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL19546648 0.79 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916647 0.79 DYRK1A (0.59) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546882 0.78 GSK3B (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546905 0.78 TTK (0.56) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL23916118 0.78 DYRK1A (0.60) 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