SCHEMBL30005237

SCHEMBL30005237

CN(C)[C@H]1CC[C@H](C(=O)Nc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.71
DYRK1A Q13627 13/20 0.71
WNT1 P04628 9/20 0.69
ABL1 P00519 5/20 0.56
JAK2 O60674 1/20 0.55
TYK2 P29597 1/20 0.55
USP30 Q70CQ3 1/20 0.55

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
SCHEMBL19515618 1.00 GSK3B (0.71) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL23741077 1.00 GSK3B (0.71) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL19515615 1.00 GSK3B (0.71) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL19515815 0.92 GSK3B (0.73) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL25623359 0.89 GSK3B (0.69) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL558488 0.87 GSK3B (0.70) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL19544479 0.87 GSK3B (0.70) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL19516204 0.86 GSK3B (0.70) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL19515737 0.84 GSK3B (0.67) GSK3BDYRK1AWNT1ABL1JAK2
SCHEMBL19515590 0.84 DYRK1A (0.76) 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