SCHEMBL30005216

SCHEMBL30005216

CC(C(=O)Nc1cc2cc(-c3cncn3C)ccc2cn1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 1.00
DYRK1A Q13627 20/20 1.00
WNT1 P04628 15/20 1.00

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
SCHEMBL19515249 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516003 0.99 GSK3B (0.98) GSK3BDYRK1AWNT1
SCHEMBL19515324 0.92 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL30005588 0.92 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL19515321 0.92 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL24219062 0.88 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL24219223 0.87 GSK3B (0.78) GSK3BDYRK1AWNT1
SCHEMBL20947024 0.87 GSK3B (0.77) GSK3BDYRK1AWNT1
SCHEMBL20949054 0.86 GSK3B (0.76) GSK3BDYRK1AWNT1
SCHEMBL20948419 0.85 GSK3B (0.75) 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
CN-109311819-B Isoquinolin-3-yl carboxamides, their preparation and their use 萨穆梅德有限公司 2022-10-25 CN disclosed