SCHEMBL28362643

SCHEMBL28362643

NC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(N2CCOCC2)nc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.69
▸ JAK2 O60674 6/20 0.69
▸ JAK1 P23458 4/20 0.69
▸ JAK3 P52333 4/20 0.69
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ DGAT1 O75907 7/20 0.49
▸ KCNQ3 O43525 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ CNR2 P34972 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL29552222 1.00 TYK2 (0.69) TYK2JAK2JAK1JAK3NPC1
SCHEMBL29551800 0.92 TYK2 (0.58) TYK2JAK2JAK1JAK3NPC1
SCHEMBL29552247 0.89 TYK2 (0.56) TYK2JAK2JAK1JAK3NPC1
SCHEMBL29923134 0.89 TYK2 (0.56) TYK2JAK2JAK1JAK3NPC1
SCHEMBL28358972 0.89 TYK2 (0.56) TYK2JAK2JAK1JAK3NPC1
SCHEMBL28358907 0.82 TYK2 (0.77) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL28359087 0.82 TYK2 (1.00) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL28362658 0.82 TYK2 (1.00) TYK2JAK2JAK1JAK3DGAT1
SCHEMBL3124448 0.79 JAK2 (0.68) TYK2JAK2JAK1JAK3NPC1
SCHEMBL29551873 0.79 TYK2 (0.52) 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 2 patents. 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
CN-110818641-A 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 2020-02-21 — — CN disclosed
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