SCHEMBL30004855

SCHEMBL30004855

Cn1cncc1-c1ccc2cnc(NC(=O)[C@H]3CCCNC3)cc2c1

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 16/20 0.75

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
SCHEMBL19515489 1.00 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL19515488 1.00 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL19515704 0.91 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL30004522 0.91 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516492 0.90 GSK3B (0.86) GSK3BDYRK1AWNT1
SCHEMBL24219071 0.90 GSK3B (0.70) GSK3BDYRK1AWNT1
SCHEMBL30004196 0.89 GSK3B (0.86) GSK3BDYRK1AWNT1
SCHEMBL19515651 0.89 GSK3B (0.86) GSK3BDYRK1AWNT1
SCHEMBL19518444 0.86 DYRK1A (0.82) GSK3BDYRK1AWNT1
SCHEMBL30005907 0.86 DYRK1A (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 claimed