SCHEMBL29922630

SCHEMBL29922630

COC(=O)c1nnc(-c2c(F)cccc2Cl)cc1Nc1ccc(SC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.54
▸ JAK2 O60674 3/20 0.54
▸ JAK1 P23458 3/20 0.54
▸ JAK3 P52333 3/20 0.54
▸ PTGS2 P35354 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL28362774 1.00 TYK2 (0.54) TYK2JAK2JAK1JAK3PTGS2
SCHEMBL28358976 0.93 JAK2 (0.44) TYK2JAK2JAK1JAK3MAPT
SCHEMBL29922647 0.93 JAK2 (0.44) TYK2JAK2JAK1JAK3MAPT
SCHEMBL29552110 0.90 JAK2 (0.55) TYK2JAK2JAK1JAK3PTGS2
SCHEMBL28359246 0.86 JAK2 (0.54) TYK2JAK2JAK1JAK3PTGS2
SCHEMBL29552137 0.86 JAK2 (0.54) TYK2JAK2JAK1JAK3PTGS2
SCHEMBL28358944 0.84 JAK2 (0.51) TYK2JAK2JAK1JAK3MAPT
SCHEMBL29922577 0.84 JAK2 (0.51) TYK2JAK2JAK1JAK3MAPT
SCHEMBL28362763 0.82 JAK2 (0.59) TYK2JAK2JAK1JAK3MAPT
SCHEMBL29551959 0.82 JAK2 (0.46) TYK2JAK2JAK1JAK3MAPT

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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