SCHEMBL29922798

SCHEMBL29922798

COCCn1cc(Nc2c(-c3c(F)cccc3F)cnnc2C(N)=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.52
▸ JAK2 O60674 16/20 0.52
▸ JAK1 P23458 16/20 0.52
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ TYK2 P29597 4/20 0.40

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
SCHEMBL29922902 0.83 JAK1 (0.41) JAK3JAK2JAK1PIM1PIM3
SCHEMBL28359221 0.80 JAK3 (0.52) JAK3JAK2JAK1PIM1PIM3
SCHEMBL29922888 0.77 MKNK1 (0.37) JAK3JAK2JAK1PIM1PIM3
SCHEMBL29922574 0.77 JAK2 (0.48) JAK3JAK2JAK1TYK2
SCHEMBL29922762 0.75 JAK2 (0.46) JAK3JAK2JAK1TYK2
SCHEMBL29922895 0.73 JAK3 (0.47) JAK3JAK2JAK1PIM1PIM3
SCHEMBL28359056 0.73 JAK3 (0.47) JAK3JAK2JAK1PIM1PIM3
SCHEMBL28359207 0.73 JAK3 (0.47) JAK3JAK2JAK1PIM1PIM3
SCHEMBL29922756 0.73 JAK2 (0.40) JAK3JAK2JAK1TYK2
SCHEMBL29922608 0.73 JAK2 (0.39) JAK3JAK2JAK1TYK2

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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