SCHEMBL30006478

SCHEMBL30006478

CC(=O)Nc1cc2cc(-c3cnn(C)c3)ccc2cn1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.78
DYRK1A Q13627 19/20 0.78
WNT1 P04628 14/20 0.78
CLK2 P49760 1/20 0.73
CLK3 P49761 1/20 0.73
ABL1 P00519 1/20 0.71

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
SCHEMBL19515904 0.90 GSK3B (0.78) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19516288 0.88 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL30004808 0.88 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515233 0.85 GSK3B (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19518438 0.85 GSK3B (0.85) GSK3BDYRK1AWNT1ABL1
SCHEMBL25230734 0.85 GSK3B (0.86) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19515404 0.85 GSK3B (0.89) GSK3BDYRK1AWNT1ABL1
SCHEMBL30004656 0.85 GSK3B (0.85) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515365 0.85 DYRK1A (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30006107 0.85 GSK3B (0.88) GSK3BDYRK1AWNT1CLK2CLK3

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