SCHEMBL28895484

SCHEMBL28895484

O=C(Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CC[C@H](C2CNCCO2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.56
GSK3B P49841 17/20 0.56
WNT1 P04628 10/20 0.56
USP30 Q70CQ3 1/20 0.55
CLK2 P49760 1/20 0.50
CLK3 P49761 1/20 0.50
JAK2 O60674 1/20 0.48
TYK2 P29597 1/20 0.48

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
SCHEMBL19515815 0.85 GSK3B (0.73) DYRK1AGSK3BWNT1USP30JAK2
SCHEMBL28895364 0.84 GSK3B (0.72) DYRK1AGSK3BWNT1
SCHEMBL28895436 0.84 GSK3B (0.72) DYRK1AGSK3BWNT1
SCHEMBL28895472 0.84 ABL1 (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516204 0.84 GSK3B (0.70) DYRK1AGSK3BWNT1USP30CLK2
SCHEMBL28959767 0.84 GSK3B (0.68) DYRK1AGSK3BWNT1
SCHEMBL28895336 0.84 GSK3B (0.71) DYRK1AGSK3BWNT1
SCHEMBL28895296 0.83 GSK3B (0.74) DYRK1AGSK3BWNT1
SCHEMBL28895370 0.83 DYRK1A (0.74) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL28895236 0.83 DYRK1A (0.74) 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