SCHEMBL26396309

SCHEMBL26396309

CNc1n[nH]c2ccc(-c3cc(C#N)ccc3Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.45
▸ JAK3 P52333 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ ABCC9 O60706 1/20 0.41
▸ CDK8 P49336 4/20 0.41
▸ CCNC P24863 2/20 0.41
▸ CDC7 O00311 3/20 0.41
▸ PAK1 Q13153 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ DAPK3 O43293 2/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ CSNK1A1 P48729 2/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ CDK7 P50613 2/20 0.38
▸ CDK9 P50750 2/20 0.38

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
SCHEMBL26394035 0.87 LRRK2 (0.44) LRRK2ABCC9CDK8CCNCCDC7
SCHEMBL26397024 0.86 LRRK2 (0.41) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL26393692 0.86 GSK3B (0.41) LRRK2ABCC9CDK8CCNCCDC7
SCHEMBL26396791 0.85 GSK3B (0.47) LRRK2JAK3JAK2TYK2CDK8
SCHEMBL26393486 0.84 HDAC6 (0.50) JAK3JAK2JAK1TYK2CDK8
SCHEMBL26396381 0.80 GSK3B (0.40) JAK3CDK8CDC7PAK1DAPK3
SCHEMBL26394420 0.80 JAK2 (0.66) JAK3JAK2JAK1TYK2CDK8
SCHEMBL26394340 0.79 GSK3B (0.47) JAK3JAK2JAK1TYK2CDK8
SCHEMBL26395039 0.77 HDAC6 (0.47) JAK3JAK2JAK1TYK2CDK8
SCHEMBL26394366 0.77 CYP1A2 (0.59) LRRK2JAK3JAK2JAK1TYK2

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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