SCHEMBL28362555

SCHEMBL28362555

NC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1cccc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.52
▸ TYK2 P29597 4/20 0.52
▸ JAK2 O60674 3/20 0.52
▸ JAK3 P52333 3/20 0.52
▸ CDC25B P30305 7/20 0.44
▸ CDC25A P30304 1/20 0.44
▸ CDC25C P30307 1/20 0.44
▸ RHOA P61586 1/20 0.43
▸ AKR1C3 P42330 4/20 0.41
▸ AKR1C2 P52895 4/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AURKA O14965 1/20 0.41

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
SCHEMBL29551925 1.00 JAK1 (0.52) JAK1TYK2JAK2JAK3CDC25B
SCHEMBL29552249 0.90 TYK2 (0.58) JAK1TYK2JAK2JAK3AURKA
SCHEMBL28359236 0.90 TYK2 (0.58) JAK1TYK2JAK2JAK3AURKA
SCHEMBL29551888 0.89 JAK2 (0.59) JAK1TYK2JAK2JAK3MAPT
SCHEMBL28358981 0.84 JAK1 (0.47) JAK1TYK2JAK2JAK3NPC1
SCHEMBL29551854 0.84 JAK1 (0.47) JAK1TYK2JAK2JAK3NPC1
SCHEMBL29551995 0.83 JAK2 (0.69) JAK1TYK2JAK2JAK3NPC1
SCHEMBL28359167 0.83 JAK2 (0.69) JAK1TYK2JAK2JAK3NPC1
SCHEMBL29551873 0.81 TYK2 (0.52) JAK1TYK2JAK2JAK3
SCHEMBL29922823 0.81 JAK2 (0.51) JAK1TYK2JAK2JAK3CDC25B

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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