SCHEMBL24219082

SCHEMBL24219082

C[C@H](C(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.71
DYRK1A Q13627 19/20 0.71
WNT1 P04628 11/20 0.71
USP30 Q70CQ3 1/20 0.54

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
SCHEMBL19515794 1.00 GSK3B (0.71) GSK3BDYRK1AWNT1USP30
SCHEMBL19516185 0.99 GSK3B (0.71) GSK3BDYRK1AWNT1USP30
SCHEMBL19515237 0.91 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL30005765 0.91 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL19515236 0.91 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL24219308 0.87 GSK3B (0.57) GSK3BDYRK1AWNT1USP30
SCHEMBL558193 0.85 GSK3B (0.63) GSK3BDYRK1AWNT1USP30
SCHEMBL19515535 0.83 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516459 0.83 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515290 0.83 GSK3B (1.00) 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-3943086-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF BioSplice Therapeutics, Inc. (US) 2022-01-26 EP disclosed