SCHEMBL30005133

SCHEMBL30005133

CC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-n4nccn4)ccc3cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 1.00
GSK3B P49841 18/20 0.76
WNT1 P04628 9/20 0.64
CLK2 P49760 2/20 0.49
CLK3 P49761 2/20 0.49
DYRK3 O43781 1/20 0.49
CLK1 P49759 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
DYRK2 Q92630 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK4 Q9NR20 1/20 0.49
DYRK1B Q9Y463 1/20 0.49

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
SCHEMBL19515378 1.00 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23740909 0.90 DYRK1A (0.81) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20946633 0.87 DYRK1A (0.77) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20947004 0.87 DYRK1A (0.77) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30005095 0.86 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19515228 0.86 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20950693 0.86 DYRK1A (0.76) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20951198 0.85 DYRK1A (0.75) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516272 0.85 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30004798 0.85 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3

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 disclosed