SCHEMBL30005744

SCHEMBL30005744

Cc1ncc(-c2ccc3cnc(NC(=O)[C@H]4CC[C@H](CN5CCN(C)CC5)CC4)cc3c2)n1C

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.78
GSK3B P49841 19/20 0.78
WNT1 P04628 12/20 0.78
CLK2 P49760 1/20 0.57
CLK3 P49761 1/20 0.57

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
SCHEMBL23740783 1.00 DYRK1A (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516340 1.00 DYRK1A (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30004576 1.00 DYRK1A (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515607 1.00 DYRK1A (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515606 1.00 DYRK1A (0.78) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515397 0.92 GSK3B (0.75) DYRK1AGSK3BWNT1
SCHEMBL19515807 0.92 GSK3B (0.75) DYRK1AGSK3BWNT1
SCHEMBL30003981 0.92 GSK3B (0.75) DYRK1AGSK3BWNT1
SCHEMBL30005170 0.92 GSK3B (0.75) DYRK1AGSK3BWNT1
SCHEMBL23740971 0.92 GSK3B (0.75) 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 claimed