SCHEMBL30004808

SCHEMBL30004808

Cn1cc(-c2ccc3cnc(NC(=O)C4CC4)cc3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 1.00
DYRK1A Q13627 19/20 1.00
WNT1 P04628 16/20 1.00
ABL1 P00519 1/20 0.91

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
SCHEMBL19516288 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL30004777 0.96 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19516146 0.96 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19516144 0.96 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL14246626 0.95 ABL1 (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19516373 0.94 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL30005034 0.94 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19516375 0.94 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515404 0.94 GSK3B (0.89) GSK3BDYRK1AWNT1ABL1
SCHEMBL19515821 0.94 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1

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 2 patents. 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
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