SCHEMBL29739946

SCHEMBL29739946

CCONC(=O)c1cnc(Cl)cc1Nc1cccc(-c2ncccn2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.52
▸ JAK1 P23458 14/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ KCNH2 Q12809 3/20 0.42
▸ STAT3 P40763 1/20 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
SCHEMBL24498077 1.00 TYK2 (0.52) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686980 0.94 TYK2 (0.50) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686397 0.93 TYK2 (0.46) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL24498054 0.93 TYK2 (0.46) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686586 0.93 TYK2 (0.47) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL24497662 0.93 TYK2 (0.47) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL24497674 0.92 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686389 0.92 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL24498496 0.88 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686474 0.88 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186070-A Hydroxamate compound and crystalline form of salt thereof and preparation method thereof 深圳微芯生物科技股份有限公司 2023-12-08 — — CN disclosed
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 — — CN disclosed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 — — CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 — — CN disclosed
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