SCHEMBL23740788

SCHEMBL23740788

CC1(C)CN(CC(=O)Nc2cc3cc(/C(C=N)=C/N)ccc3cn2)C1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.58
DYRK1A Q13627 20/20 0.58
WNT1 P04628 17/20 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
SCHEMBL23740784 0.80 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23741035 0.79 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL23741078 0.79 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL23740895 0.78 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23741028 0.77 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL23741079 0.76 DYRK1A (0.60) GSK3BDYRK1AWNT1
SCHEMBL14391664 0.76 RXFP1 (0.51)
SCHEMBL24219314 0.76 DYRK1A (0.52) GSK3BDYRK1AWNT1
SCHEMBL24219047 0.75 NNMT (0.37) GSK3BDYRK1AWNT1
SCHEMBL23741074 0.74 DYRK1A (0.37) 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