SCHEMBL30005459

SCHEMBL30005459

CNc1ncc(-c2ccc3cnc(NC(=O)C4CCNCC4)cc3c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 1.00
GSK3B P49841 18/20 1.00
WNT1 P04628 13/20 1.00
ABL1 P00519 1/20 0.54

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
SCHEMBL19516218 1.00 DYRK1A (1.00) DYRK1AGSK3BWNT1ABL1
SCHEMBL30004067 0.88 DYRK1A (1.00) DYRK1AGSK3BWNT1
SCHEMBL19515491 0.88 DYRK1A (1.00) DYRK1AGSK3BWNT1
SCHEMBL23740967 0.88 GSK3B (0.78) DYRK1AGSK3BWNT1ABL1
SCHEMBL20948714 0.86 DYRK1A (0.76) DYRK1AGSK3BWNT1ABL1
SCHEMBL20947208 0.86 DYRK1A (0.75) DYRK1AGSK3BWNT1ABL1
SCHEMBL20950460 0.86 DYRK1A (0.75) DYRK1AGSK3BWNT1ABL1
SCHEMBL20948833 0.84 DYRK1A (0.73) DYRK1AGSK3BWNT1ABL1
SCHEMBL20951022 0.83 DYRK1A (0.71) DYRK1AGSK3BWNT1ABL1
SCHEMBL19516069 0.81 GSK3B (0.84) DYRK1AGSK3BWNT1

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