SCHEMBL30004923

SCHEMBL30004923

O=C(Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCN1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.69
DYRK1A Q13627 18/20 0.69
WNT1 P04628 11/20 0.69
USP30 Q70CQ3 1/20 0.55
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50

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
SCHEMBL19515255 1.00 GSK3B (0.69) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19515254 1.00 GSK3B (0.69) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19515815 0.87 GSK3B (0.73) GSK3BDYRK1AWNT1USP30JAK2
SCHEMBL19516204 0.86 GSK3B (0.70) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19516186 0.85 GSK3B (0.70) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL30005285 0.85 GSK3B (0.70) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19516187 0.85 GSK3B (0.70) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19515749 0.82 GSK3B (0.69) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19544165 0.82 GSK3B (0.67) GSK3BDYRK1AWNT1USP30JAK2
SCHEMBL25623359 0.82 GSK3B (0.69) GSK3BDYRK1AWNT1USP30JAK2

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