SCHEMBL28895361

SCHEMBL28895361

Cn1cc(-c2ccc3cnc(NC(=O)CCC4CNCCO4)cc3c2)cn1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.84
DYRK1A Q13627 20/20 0.84
WNT1 P04628 19/20 0.84

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
SCHEMBL30005747 0.91 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515437 0.91 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL24219458 0.84 GSK3B (0.81) GSK3BDYRK1AWNT1
SCHEMBL28895457 0.83 GSK3B (0.61) GSK3BDYRK1AWNT1
SCHEMBL23741159 0.81 GSK3B (0.70) GSK3BDYRK1AWNT1
SCHEMBL28895359 0.80 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL20949136 0.80 DYRK1A (0.79) GSK3BDYRK1AWNT1
SCHEMBL28895436 0.80 GSK3B (0.72) GSK3BDYRK1AWNT1
SCHEMBL28895185 0.80 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL28895364 0.80 GSK3B (0.72) 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