SCHEMBL29922615

SCHEMBL29922615

COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(S(C)(=O)=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.50
▸ JAK2 O60674 7/20 0.50
▸ JAK1 P23458 4/20 0.50
▸ JAK3 P52333 4/20 0.50
▸ RORC P51449 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ DHODH Q02127 1/20 0.35

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
SCHEMBL28358938 1.00 TYK2 (0.50) TYK2JAK2JAK1JAK3RORC
SCHEMBL29552269 0.91 TYK2 (0.51) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28358935 0.90 TYK2 (0.61) TYK2JAK2JAK1JAK3
SCHEMBL29922914 0.84 TYK2 (0.50) TYK2JAK2JAK1JAK3RORC
SCHEMBL28359104 0.84 TYK2 (0.50) TYK2JAK2JAK1JAK3RORC
SCHEMBL15091106 0.80 LMNA (0.41) TYK2JAK2MAPT
SCHEMBL29552137 0.79 JAK2 (0.54) TYK2JAK2JAK1JAK3RORC
SCHEMBL28359246 0.79 JAK2 (0.54) TYK2JAK2JAK1JAK3RORC
SCHEMBL29552080 0.77 MAPT (0.42) TYK2JAK2JAK1JAK3RORC
SCHEMBL28883611 0.75 JAK2 (0.59) 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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