SCHEMBL28358981

SCHEMBL28358981

CC(C)(C)OC(=O)c1cccc(Nc2cc(-c3c(F)cccc3F)nnc2C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.47
▸ TYK2 P29597 4/20 0.47
▸ JAK2 O60674 4/20 0.47
▸ JAK3 P52333 3/20 0.47
▸ F2 P00734 6/20 0.42
▸ TMPRSS6 Q8IU80 2/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ BUB1 O43683 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SYK P43405 3/20 0.38
▸ TMPRSS15 P98073 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 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
SCHEMBL29551854 1.00 JAK1 (0.47) JAK1TYK2JAK2JAK3F2
SCHEMBL29552248 0.91 ABCB1 (0.41) JAK1TYK2JAK2JAK3F2
SCHEMBL29922466 0.91 ABCB1 (0.41) JAK1TYK2JAK2JAK3F2
SCHEMBL28358863 0.91 ABCB1 (0.41) JAK1TYK2JAK2JAK3F2
SCHEMBL29552236 0.91 ABCB1 (0.43) JAK1TYK2JAK2JAK3F2
SCHEMBL28362644 0.91 JAK2 (0.52) JAK1TYK2JAK2JAK3F2
SCHEMBL29552483 0.91 JAK2 (0.52) JAK1TYK2JAK2JAK3F2
SCHEMBL28359255 0.85 JAK2 (0.62) JAK1TYK2JAK2JAK3F2
SCHEMBL28362555 0.84 JAK1 (0.52) JAK1TYK2JAK2JAK3ALDH1A1
SCHEMBL29551925 0.84 JAK1 (0.52) JAK1TYK2JAK2JAK3ALDH1A1

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 3 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
WO-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 — — WO 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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