SCHEMBL23916805

SCHEMBL23916805

CNc1cc2cc(C(=N)SC(=N)C(F)(F)F)ccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.34
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
DYRK1A Q13627 11/20 0.34
GSK3B P49841 9/20 0.34
HCAR3 P49019 1/20 0.33
NNMT P40261 3/20 0.32
WNT1 P04628 4/20 0.31
CLK2 P49760 3/20 0.31
CLK3 P49761 3/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL23916195 0.84 HCAR3 (0.36) ABL1ACACBACACADYRK1AGSK3B
SCHEMBL23741370 0.74 HCAR3 (0.34) ABL1ACACBACACADYRK1AGSK3B
SCHEMBL23048827 0.72 ACACB (0.33) ABL1ACACBACACADYRK1AGSK3B
SCHEMBL23741148 0.71 HCAR3 (0.36) ABL1ACACBACACADYRK1AGSK3B
SCHEMBL2671513 0.71 HCAR3 (0.60) ACACBACACADYRK1AGSK3BHCAR3
SCHEMBL4137382 0.70 NNMT (0.44) ACACBACACADYRK1AGSK3BHCAR3
SCHEMBL24219443 0.69 ACACB (0.35) ABL1ACACBACACADYRK1AGSK3B
SCHEMBL2671631 0.69 ALOX15 (0.49) DYRK1AGSK3BHCAR3NNMT
SCHEMBL23048918 0.68 HCAR3 (0.33) ABL1ACACBACACADYRK1AGSK3B
SCHEMBL4404906 0.68 HCAR3 (0.44) ABL1ACACBACACADYRK1AGSK3B

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