SCHEMBL29922592

SCHEMBL29922592

NC(=O)c1nncc(-c2c(F)cccc2F)c1Nc1ccc2c(c1)CCN2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 17/20 0.39
▸ TYK2 P29597 15/20 0.35
▸ JAK1 P23458 14/20 0.35
▸ JAK3 P52333 14/20 0.35
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ PDE7A Q13946 1/20 0.33

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
SCHEMBL29922756 0.80 JAK2 (0.40) JAK2TYK2JAK1JAK3
SCHEMBL28359208 0.79 JAK2 (0.51) JAK2TYK2JAK1JAK3
SCHEMBL29551863 0.79 JAK2 (0.51) JAK2TYK2JAK1JAK3
SCHEMBL29922701 0.78 JAK2 (0.41) JAK2TYK2JAK1JAK3
SCHEMBL29922887 0.77 JAK1 (0.40) JAK2TYK2JAK1JAK3
SCHEMBL29922762 0.74 JAK2 (0.46) JAK2TYK2JAK1JAK3
SCHEMBL29922608 0.74 JAK2 (0.39) JAK2TYK2JAK1JAK3
SCHEMBL29922684 0.73 TYK2 (0.40) JAK2TYK2JAK1JAK3
SCHEMBL29922923 0.73 JAK2 (0.40) JAK2TYK2JAK1JAK3
SCHEMBL29922888 0.73 MKNK1 (0.37) JAK2TYK2JAK1JAK3

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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