SCHEMBL30810116

SCHEMBL30810116

COc1nn(C)cc1Nc1ncc(F)c(-c2cn(S(=O)(=O)Cc3ccccc3)c3c(Cl)nccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 16/20 0.44
▸ JAK2 O60674 12/20 0.44
▸ LRRK2 Q5S007 1/20 0.41
▸ CDK2 P24941 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ JAK3 P52333 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL23668175 0.84 JAK1 (0.43) JAK1JAK2LRRK2CDK2CDK9
SCHEMBL30810104 0.83 JAK1 (0.43) JAK1JAK2
SCHEMBL23678830 0.79 JAK1 (0.44) JAK1JAK2LRRK2JAK3KCNH2
SCHEMBL23668192 0.76 JAK1 (0.47) JAK1JAK2LRRK2JAK3KCNH2
SCHEMBL23668179 0.73 LRRK2 (0.52) JAK1JAK2LRRK2JAK3KCNH2
SCHEMBL23668178 0.71 FLT3 (0.42) JAK1JAK2CDK2JAK3
SCHEMBL30018373 0.70 JAK1 (0.44) JAK1JAK2
SCHEMBL28932573 0.70 JAK1 (0.44) JAK1JAK2
SCHEMBL23678817 0.70 JAK1 (0.47) JAK1JAK2LRRK2JAK3KCNH2
SCHEMBL21870747 0.69 LRRK2 (0.60) JAK1JAK2LRRK2

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-112823159-B Aromatic heterocyclic compounds with kinase inhibitory activity 上海轶诺药业有限公司 2024-03-01 — — CN disclosed
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