SCHEMBL30005501

SCHEMBL30005501

Cc1nnc(-c2ccc3cnc(NC(=O)CN4CCN(C)CC4)cc3c2)s1

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 12/20 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
SCHEMBL19516265 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL30005709 0.93 GSK3B (0.86) GSK3BDYRK1AWNT1
SCHEMBL19515707 0.93 GSK3B (0.86) GSK3BDYRK1AWNT1
SCHEMBL30005301 0.92 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515340 0.92 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516162 0.92 GSK3B (0.85) GSK3BDYRK1AWNT1
SCHEMBL30005299 0.92 GSK3B (0.85) GSK3BDYRK1AWNT1
SCHEMBL30004517 0.91 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515434 0.91 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515194 0.90 GSK3B (0.82) 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