SCHEMBL28895388

SCHEMBL28895388

Cc1ncc(-c2ccc3cnc(NC(=O)C(C)C4CNCCO4)cc3c2)n1C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.60
GSK3B P49841 17/20 0.60
WNT1 P04628 8/20 0.60
CLK2 P49760 3/20 0.56
CLK3 P49761 3/20 0.56

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
SCHEMBL28959765 0.86 GSK3B (0.65) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL28895359 0.85 GSK3B (0.69) DYRK1AGSK3BWNT1
SCHEMBL28895452 0.83 GSK3B (0.63) DYRK1AGSK3BWNT1
SCHEMBL28895306 0.83 GSK3B (0.62) DYRK1AGSK3BWNT1
SCHEMBL28895176 0.83 GSK3B (0.54) DYRK1AGSK3BWNT1
SCHEMBL19515496 0.82 DYRK1A (0.74) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL28895370 0.80 DYRK1A (0.74) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL28895236 0.80 DYRK1A (0.74) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516114 0.78 DYRK1A (0.85) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516454 0.78 DYRK1A (0.84) 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 claimed