SCHEMBL23740820

SCHEMBL23740820

CN(N)/C(=C\N)c1ccc2cnc(NC(=O)C3CCCCC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.52
DYRK1A Q13627 10/20 0.52
WNT1 P04628 7/20 0.52
ABL1 P00519 10/20 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
SCHEMBL23741024 0.91 GSK3B (0.55) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741020 0.89 DYRK1A (0.59) GSK3BDYRK1AWNT1
SCHEMBL24218886 0.89 GSK3B (0.40) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741019 0.88 DYRK1A (0.52) GSK3BDYRK1AWNT1
SCHEMBL23741143 0.88 DYRK1A (0.48) GSK3BDYRK1AWNT1
SCHEMBL23740986 0.88 GSK3B (0.58) GSK3BDYRK1AWNT1
SCHEMBL23740812 0.87 DYRK1A (0.54) GSK3BDYRK1AWNT1ABL1
SCHEMBL23740732 0.87 ABL1 (0.51) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741149 0.87 DYRK1A (0.59) GSK3BDYRK1AWNT1ABL1
SCHEMBL24219319 0.83 GSK3B (0.39) GSK3BDYRK1AWNT1ABL1

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