SCHEMBL23740742

SCHEMBL23740742

CCN(CC)CC(=O)Nc1cc2cc(/C(C=N)=C/NC)ccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.53
DYRK1A Q13627 14/20 0.53
WNT1 P04628 9/20 0.53
ABL1 P00519 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL23048575 0.81 HCAR3 (0.35) GSK3BDYRK1AWNT1ABL1
SCHEMBL23740895 0.80 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL24219182 0.78 DYRK1A (0.51) GSK3BDYRK1AWNT1ABL1
SCHEMBL23740840 0.78 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23741009 0.77 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL24218957 0.76 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL19546597 0.75 DYRK1A (0.42) GSK3BDYRK1AWNT1
SCHEMBL24218960 0.75 USP30 (0.32) GSK3BDYRK1AWNT1
SCHEMBL18900168 0.75 ABL1 (0.57) ABL1
SCHEMBL23916218 0.74 DYRK1A (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