SCHEMBL29922642

SCHEMBL29922642

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cc(-c4c(F)cccc4F)nnc3C(N)=O)nc2)C(=O)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.66
▸ JAK2 O60674 10/20 0.66
▸ JAK1 P23458 4/20 0.66
▸ JAK3 P52333 3/20 0.66
▸ WNT3A P56704 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL28359034 1.00 TYK2 (0.66) TYK2JAK2JAK1JAK3WNT3A
SCHEMBL29552246 1.00 TYK2 (0.66) TYK2JAK2JAK1JAK3WNT3A
SCHEMBL29551980 0.93 TYK2 (0.57) TYK2JAK2JAK1JAK3WNT3A
SCHEMBL28362685 0.93 TYK2 (0.57) TYK2JAK2JAK1JAK3WNT3A
SCHEMBL28359094 0.86 TYK2 (0.74) TYK2JAK2JAK1JAK3
SCHEMBL28884122 0.80 TYK2 (1.00) TYK2JAK2JAK1JAK3
SCHEMBL29552327 0.80 TYK2 (0.74) TYK2JAK2JAK1JAK3
SCHEMBL28884123 0.80 TYK2 (0.74) TYK2JAK2JAK1JAK3
SCHEMBL29552312 0.78 TYK2 (0.58) TYK2JAK2JAK1JAK3
SCHEMBL29552169 0.78 TYK2 (0.58) 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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