SCHEMBL30004773

SCHEMBL30004773

CCN1CC(F)(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.72
DYRK1A Q13627 20/20 0.72
WNT1 P04628 15/20 0.72

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
SCHEMBL19516120 1.00 GSK3B (0.72) GSK3BDYRK1AWNT1
SCHEMBL30004879 0.91 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL19515513 0.91 GSK3B (0.73) GSK3BDYRK1AWNT1
SCHEMBL30005051 0.90 GSK3B (0.71) GSK3BDYRK1AWNT1
SCHEMBL19516229 0.90 GSK3B (0.71) GSK3BDYRK1AWNT1
SCHEMBL30004065 0.90 GSK3B (0.82) GSK3BDYRK1AWNT1
SCHEMBL19516422 0.90 GSK3B (0.82) GSK3BDYRK1AWNT1
SCHEMBL30005844 0.90 GSK3B (0.81) GSK3BDYRK1AWNT1
SCHEMBL19515598 0.90 GSK3B (0.81) GSK3BDYRK1AWNT1
SCHEMBL19515469 0.90 GSK3B (0.83) 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 claimed