SCHEMBL28358976

SCHEMBL28358976

COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.44
▸ TYK2 P29597 9/20 0.44
▸ JAK1 P23458 5/20 0.44
▸ JAK3 P52333 5/20 0.44
▸ DHODH Q02127 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KIF11 P52732 1/20 0.35

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
SCHEMBL29922647 1.00 JAK2 (0.44) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28362774 0.93 TYK2 (0.54) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29922630 0.93 TYK2 (0.54) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29551959 0.89 JAK2 (0.46) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29552340 0.85 DHODH (0.45) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28362738 0.85 DHODH (0.45) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28359104 0.85 TYK2 (0.50) JAK2TYK2JAK1JAK3DHODH
SCHEMBL29922784 0.85 DHODH (0.45) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28359015 0.85 TYK2 (0.44) JAK2TYK2JAK1JAK3DHODH
SCHEMBL28362639 0.85 JAK2 (0.44) JAK2TYK2JAK1JAK3DHODH

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 3 patents. 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
WO-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 — — WO disclosed
CN-110818641-A 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 2020-02-21 — — CN disclosed
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