SCHEMBL29686428

SCHEMBL29686428

CCONC(=O)c1cnc(Cl)cc1Nc1cc(F)cc(-c2ncc(F)cn2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.47
▸ JAK1 P23458 11/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAP2K1 Q02750 3/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL29686362 1.00 TYK2 (0.47) TYK2JAK1CYP2C19MAP2K1JAK2
SCHEMBL24497675 1.00 TYK2 (0.47) TYK2JAK1CYP2C19MAP2K1JAK2
SCHEMBL29686522 0.95 TYK2 (0.46) TYK2JAK1CYP2C19MAP2K1JAK2
SCHEMBL24498504 0.95 TYK2 (0.46) TYK2JAK1CYP2C19MAP2K1JAK2
SCHEMBL29686474 0.94 TYK2 (0.54) TYK2JAK1CYP2C19MAP2K1JAK2
SCHEMBL24498496 0.94 TYK2 (0.54) TYK2JAK1CYP2C19MAP2K1JAK2
SCHEMBL24497674 0.90 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL29686389 0.90 TYK2 (0.54) TYK2JAK1CYP2C19JAK2KCNH2
SCHEMBL24899716 0.88 TYK2 (0.54) TYK2JAK1CYP2C19JAK2PDE4D
SCHEMBL24498060 0.86 TYK2 (0.49) TYK2JAK1CYP2C19JAK2PDE4D

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-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
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 — — WO disclosed
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