SCHEMBL30003845

SCHEMBL30003845

CN1CCC(C(=O)Nc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.89
GSK3B P49841 19/20 0.89
WNT1 P04628 15/20 0.89

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
SCHEMBL19516221 1.00 DYRK1A (0.89) DYRK1AGSK3BWNT1
SCHEMBL19516104 0.94 DYRK1A (1.00) DYRK1AGSK3BWNT1
SCHEMBL19515251 0.94 GSK3B (1.00) DYRK1AGSK3BWNT1
SCHEMBL30005273 0.94 GSK3B (1.00) DYRK1AGSK3BWNT1
SCHEMBL30005201 0.91 GSK3B (0.91) DYRK1AGSK3BWNT1
SCHEMBL19515685 0.91 GSK3B (0.91) DYRK1AGSK3BWNT1
SCHEMBL30441446 0.91 GSK3B (0.90) DYRK1AGSK3BWNT1
SCHEMBL19515955 0.91 GSK3B (0.82) DYRK1AGSK3BWNT1
SCHEMBL19516311 0.91 DYRK1A (0.82) DYRK1AGSK3BWNT1
SCHEMBL30005353 0.91 GSK3B (0.82) 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