SCHEMBL26394054

SCHEMBL26394054

CNC(=O)c1ccc(C#N)c(-c2ccc3[nH]nc(NC)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 6/20 0.46
▸ TBK1 Q9UHD2 2/20 0.41
▸ LRRK2 Q5S007 1/20 0.39
▸ CLK4 Q9HAZ1 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ CDK8 P49336 4/20 0.39
▸ DAPK3 O43293 3/20 0.39
▸ CLK2 P49760 3/20 0.39
▸ CDK5 Q00535 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ MAP4K5 Q9Y4K4 3/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ MAP4K2 Q12851 2/20 0.39
▸ CDC7 O00311 2/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ PAK4 O96013 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CDK9 P50750 2/20 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
SCHEMBL26393847 0.88 MAP2K4 (0.41) CDK7TBK1LRRK2CLK4CDK2
SCHEMBL26394035 0.82 LRRK2 (0.44) LRRK2CLK4CDK8CDC7ALDH1A1
Hydrochloric Acid SCHEMBL26129973 0.80 ULK1 (0.46) CDK7TBK1CLK4CDK2CDK8
SCHEMBL26394366 0.79 CYP1A2 (0.59) LRRK2CLK4CDK2CDK8DAPK3
SCHEMBL26393597 0.73 DYRK1A (0.47) CDK7CLK4CDK2CDK8DAPK3
SCHEMBL26395039 0.73 HDAC6 (0.47) CDK8JAK3JAK2CYP1A2MAPK1
SCHEMBL26395345 0.71 LRRK2 (0.42) LRRK2CLK4CDK2CDK8DAPK3
SCHEMBL26393692 0.70 GSK3B (0.41) LRRK2CLK4CDK2CDK8DAPK3
SCHEMBL26396309 0.70 LRRK2 (0.45) CDK7LRRK2CLK4CDK2CDK8
SCHEMBL2671672 0.70 MAPK1 (0.50) CDK7CDK2CDK8JAK2ALDH1A1

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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