SCHEMBL23740967

SCHEMBL23740967

Cc1ncc(-c2ccc3cnc(NC(=O)C4CCNCC4)cc3c2)s1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.78
DYRK1A Q13627 19/20 0.78
WNT1 P04628 11/20 0.78
ABL1 P00519 1/20 0.58

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
SCHEMBL20938563 0.89 GSK3B (0.74) GSK3BDYRK1AWNT1ABL1
SCHEMBL19516218 0.88 DYRK1A (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL30005459 0.88 DYRK1A (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515593 0.85 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL30004491 0.85 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516069 0.83 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL30004871 0.83 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL19515734 0.80 GSK3B (0.90) GSK3BDYRK1AWNT1
SCHEMBL20938934 0.79 GSK3B (0.72) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515768 0.79 DYRK1A (0.90) GSK3BDYRK1AWNT1

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-3448838-B1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BIOSPLICE THERAPEUTICS INC (US) 2021-08-11 EP disclosed