SCHEMBL29922893

SCHEMBL29922893

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.40
▸ JAK2 O60674 9/20 0.40
▸ JAK1 P23458 4/20 0.40
▸ JAK3 P52333 4/20 0.40
▸ DHODH Q02127 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33

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
SCHEMBL28359233 1.00 TYK2 (0.40) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29552942 0.91 TYK2 (0.41) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28358904 0.91 JAK2 (0.50) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29552497 0.91 JAK2 (0.50) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28359015 0.85 TYK2 (0.44) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29922729 0.85 TYK2 (0.44) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29922572 0.84 JAK2 (0.46) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28359248 0.84 JAK2 (0.46) TYK2JAK2JAK1JAK3DHODH
SCHEMBL29922686 0.84 JAK2 (0.42) TYK2JAK2JAK1JAK3DHODH
SCHEMBL28362586 0.84 JAK2 (0.42) TYK2JAK2JAK1JAK3DHODH

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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