SCHEMBL28895176

SCHEMBL28895176

CC(C(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CNCCO1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.54
DYRK1A Q13627 19/20 0.54
WNT1 P04628 10/20 0.54
USP30 Q70CQ3 1/20 0.51

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
SCHEMBL28895359 0.85 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL28895452 0.83 GSK3B (0.63) GSK3BDYRK1AWNT1
SCHEMBL28959765 0.83 GSK3B (0.65) GSK3BDYRK1AWNT1
SCHEMBL28895306 0.83 GSK3B (0.62) GSK3BDYRK1AWNT1
SCHEMBL28895388 0.83 DYRK1A (0.60) GSK3BDYRK1AWNT1
SCHEMBL19515643 0.80 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL558193 0.80 GSK3B (0.63) GSK3BDYRK1AWNT1USP30
SCHEMBL28895484 0.79 DYRK1A (0.56) GSK3BDYRK1AWNT1USP30
SCHEMBL19515237 0.76 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL19515236 0.76 GSK3B (0.72) GSK3BDYRK1AWNT1USP30

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
CN-109311819-B Isoquinolin-3-yl carboxamides, their preparation and their use 萨穆梅德有限公司 2022-10-25 CN claimed