SCHEMBL30004385

SCHEMBL30004385

Cc1ncc(-c2ccc3cnc(NC(=O)C4CC4)cc3c2)n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 1.00
GSK3B P49841 16/20 1.00
WNT1 P04628 7/20 1.00
CLK2 P49760 2/20 0.70
CLK3 P49761 2/20 0.70
ABL1 P00519 2/20 0.67

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
SCHEMBL19516381 1.00 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515768 0.95 DYRK1A (0.90) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30006515 0.95 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515788 0.95 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516349 0.94 DYRK1A (0.88) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740916 0.93 DYRK1A (0.86) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515287 0.93 DYRK1A (0.86) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515583 0.93 DYRK1A (0.86) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515288 0.93 DYRK1A (0.86) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515258 0.93 DYRK1A (0.86) DYRK1AGSK3BWNT1CLK2CLK3

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