SCHEMBL26395345

SCHEMBL26395345

CNc1n[nH]c2ccc(-c3c(F)ccc(C#N)c3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.42
▸ CDK8 P49336 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39

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
SCHEMBL26393692 0.78 GSK3B (0.41) LRRK2CDK8CLK4GSK3BPLK4
SCHEMBL31243437 0.77 DYRK1A (0.48) GSK3BPIM1CDK2DYRK1AGSK3A
SCHEMBL26129618 0.77 DYRK1A (0.48) GSK3BPIM1CDK2DYRK1AGSK3A
SCHEMBL26395413 0.77 DYRK1A (0.43) CDK8CLK4GSK3BPLK4MAPK13
SCHEMBL26394284 0.76 CDK8 (0.46) CDK8CLK4GSK3BPLK4MAPK13
SCHEMBL26394035 0.76 LRRK2 (0.44) LRRK2CDK8CLK4CCNCALDH1A1
SCHEMBL26394366 0.76 CYP1A2 (0.59) LRRK2CDK8CLK4GSK3BPLK4
SCHEMBL26396737 0.75 PIM1 (0.45) CDK8CLK4GSK3BPLK4MAPK13
SCHEMBL26394241 0.70 HDAC6 (0.48) CDK8CLK4GSK3BPLK4MAPK13
SCHEMBL2431672 0.69 FADS1 (0.55) GSK3BMAPK1GSK3A

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
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
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