SCHEMBL29922686

SCHEMBL29922686

COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(C(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 17/20 0.42
▸ TYK2 P29597 6/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ DHODH Q02127 1/20 0.36

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
SCHEMBL28362586 1.00 JAK2 (0.42) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29922940 0.94 JAK2 (0.49) JAK2TYK2JAK1JAK3
SCHEMBL28359019 0.94 JAK2 (0.49) JAK2TYK2JAK1JAK3
SCHEMBL29552218 0.91 JAK2 (0.43) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28362534 0.90 JAK2 (0.51) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29552328 0.90 JAK2 (0.51) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29552272 0.85 JAK2 (0.50) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29552451 0.84 JAK2 (0.60) JAK2TYK2JAK1JAK3
SCHEMBL28359233 0.84 TYK2 (0.40) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29922893 0.84 TYK2 (0.40) JAK2TYK2JAK1JAK3DHODH

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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