SCHEMBL29922653

SCHEMBL29922653

CC(C)(C)OC(=O)c1ccccc1Nc1cc(-c2c(F)cccc2F)nnc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.46
▸ JAK1 P23458 4/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK8 P45983 4/20 0.37
▸ MAPK10 P53779 3/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ SYK P43405 7/20 0.37
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL29922823 0.84 JAK2 (0.51) JAK2JAK1TYK2JAK3MAPK8
SCHEMBL29552483 0.84 JAK2 (0.52) JAK2JAK1TYK2JAK3SIRT2
SCHEMBL28362644 0.84 JAK2 (0.52) JAK2JAK1TYK2JAK3SIRT2
SCHEMBL28358981 0.83 JAK1 (0.47) JAK2JAK1TYK2JAK3MAPT
SCHEMBL29551854 0.83 JAK1 (0.47) JAK2JAK1TYK2JAK3MAPT
SCHEMBL29552324 0.82 JAK2 (0.48) JAK2JAK1TYK2JAK3SYK
SCHEMBL28359105 0.82 JAK2 (0.48) JAK2JAK1TYK2JAK3SYK
SCHEMBL28362682 0.81 TYK2 (0.58) JAK2JAK1TYK2JAK3SYK
SCHEMBL29552312 0.81 TYK2 (0.58) JAK2JAK1TYK2JAK3SYK
SCHEMBL29552169 0.81 TYK2 (0.58) JAK2JAK1TYK2JAK3SYK

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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