SCHEMBL30005271

SCHEMBL30005271

O=C(Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CC[C@H](N2CCOCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.73
DYRK1A Q13627 19/20 0.73
WNT1 P04628 8/20 0.71
USP30 Q70CQ3 1/20 0.60

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
SCHEMBL19515694 1.00 GSK3B (0.73) GSK3BDYRK1AWNT1USP30
SCHEMBL19515695 1.00 GSK3B (0.73) GSK3BDYRK1AWNT1USP30
SCHEMBL19515995 0.93 GSK3B (0.71) GSK3BDYRK1AWNT1USP30
SCHEMBL19515484 0.91 DYRK1A (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL23741192 0.89 GSK3B (0.58) GSK3BDYRK1AWNT1USP30
SCHEMBL19544165 0.88 GSK3B (0.67) GSK3BDYRK1AWNT1USP30
SCHEMBL19515220 0.88 DYRK1A (0.73) GSK3BDYRK1AWNT1USP30
SCHEMBL19515815 0.87 GSK3B (0.73) GSK3BDYRK1AWNT1USP30
SCHEMBL30005001 0.85 DYRK1A (0.74) GSK3BDYRK1AWNT1
SCHEMBL19516241 0.85 DYRK1A (0.74) GSK3BDYRK1AWNT1

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