SCHEMBL29922823

SCHEMBL29922823

NC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.51
▸ JAK1 P23458 3/20 0.51
▸ TYK2 P29597 3/20 0.51
▸ JAK3 P52333 3/20 0.51
▸ FABP4 P15090 6/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ CDC25B P30305 2/20 0.42
▸ FABP3 P05413 2/20 0.41
▸ FABP5 Q01469 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ ABCB11 O95342 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
SCHEMBL29922680 0.92 JAK2 (0.58) JAK2JAK1TYK2JAK3FABP4
SCHEMBL29551888 0.85 JAK2 (0.59) JAK2JAK1TYK2JAK3DHODH
SCHEMBL29922812 0.84 MAPT (0.53) JAK2JAK1TYK2JAK3DHODH
SCHEMBL29922831 0.84 JAK2 (0.52) JAK2JAK1TYK2JAK3DHODH
SCHEMBL29922653 0.84 JAK2 (0.46) JAK2JAK1TYK2JAK3DHODH
SCHEMBL28359236 0.81 TYK2 (0.58) JAK2JAK1TYK2JAK3DHODH
SCHEMBL29552249 0.81 TYK2 (0.58) JAK2JAK1TYK2JAK3DHODH
SCHEMBL28362555 0.81 JAK1 (0.52) JAK2JAK1TYK2JAK3CDC25B
SCHEMBL29551925 0.81 JAK1 (0.52) JAK2JAK1TYK2JAK3CDC25B
SCHEMBL29551873 0.78 TYK2 (0.52) JAK2JAK1TYK2JAK3DHODH

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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