SCHEMBL29922684

SCHEMBL29922684

C[S+]([O-])c1ccc(Nc2c(-c3c(F)cccc3F)cnnc2C(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.40
▸ JAK2 O60674 16/20 0.40
▸ JAK1 P23458 16/20 0.40
▸ JAK3 P52333 16/20 0.40
▸ LRRK2 Q5S007 2/20 0.34
▸ MAPT P10636 1/20 0.32

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
SCHEMBL29922608 0.82 JAK2 (0.39) TYK2JAK2JAK1JAK3
SCHEMBL29922762 0.82 JAK2 (0.46) TYK2JAK2JAK1JAK3
SCHEMBL29922700 0.79 JAK2 (0.43) TYK2JAK2JAK1JAK3
SCHEMBL29922923 0.79 JAK2 (0.40) TYK2JAK2JAK1JAK3
SCHEMBL29922888 0.78 MKNK1 (0.37) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29922596 0.78 JAK2 (0.61) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29922756 0.78 JAK2 (0.40) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29922706 0.78 JAK2 (0.43) TYK2JAK2JAK1JAK3LRRK2
SCHEMBL29551979 0.76 JAK2 (0.55) TYK2JAK2JAK1JAK3
SCHEMBL28362793 0.76 JAK2 (0.55) TYK2JAK2JAK1JAK3

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-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 — — CN disclosed
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