SCHEMBL30004664

SCHEMBL30004664

CN1CCCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 1.00
DYRK1A Q13627 19/20 1.00
WNT1 P04628 17/20 1.00
DYRK3 O43781 1/20 0.74
CLK1 P49759 1/20 0.74
CLK2 P49760 1/20 0.74
CLK3 P49761 1/20 0.74
CDK5 Q00535 1/20 0.74
CDK5R1 Q15078 1/20 0.74
DYRK2 Q92630 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
DYRK4 Q9NR20 1/20 0.74
DYRK1B Q9Y463 1/20 0.74
ABL1 P00519 1/20 0.74

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
SCHEMBL19515595 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL30005622 0.96 GSK3B (1.00) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL19515630 0.96 GSK3B (1.00) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL19515439 0.91 GSK3B (0.90) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL30004881 0.91 GSK3B (0.90) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL19515404 0.91 GSK3B (0.89) GSK3BDYRK1AWNT1ABL1
SCHEMBL24219673 0.90 GSK3B (0.82) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL19515574 0.90 GSK3B (1.00) GSK3BDYRK1AWNT1DYRK3CLK1
SCHEMBL30004808 0.90 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1
SCHEMBL19516288 0.90 GSK3B (1.00) GSK3BDYRK1AWNT1ABL1

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 2 patents. 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
CN-109311819-B Isoquinolin-3-yl carboxamides, their preparation and their use 萨穆梅德有限公司 2022-10-25 CN disclosed