SCHEMBL28363100

SCHEMBL28363100

NC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 15/20 0.57
▸ TYK2 P29597 11/20 0.57
▸ JAK1 P23458 10/20 0.57
▸ JAK3 P52333 10/20 0.57
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ DHODH Q02127 1/20 0.38
▸ SYK P43405 1/20 0.37

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
SCHEMBL29551888 0.87 JAK2 (0.59) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28362639 0.87 JAK2 (0.44) JAK2TYK2JAK1JAK3AKR1C3
SCHEMBL29552249 0.85 TYK2 (0.58) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28359236 0.85 TYK2 (0.58) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28359205 0.83 JAK2 (0.56) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29551923 0.82 TYK2 (0.55) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28883611 0.82 JAK2 (0.59) JAK2TYK2JAK1JAK3
SCHEMBL28362706 0.82 JAK2 (0.55) JAK2TYK2JAK1JAK3
SCHEMBL28359254 0.82 JAK2 (0.55) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28884120 0.82 TYK2 (0.55) JAK2TYK2JAK1JAK3DHODH

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-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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