SCHEMBL29686730

SCHEMBL29686730

CCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(C)cn2)c1OC

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.66
▸ JAK1 P23458 3/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ JAK2 O60674 3/20 0.49

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
SCHEMBL24498505 1.00 TYK2 (0.66) TYK2JAK1CYP2C19JAK2
SCHEMBL29685764 0.95 TYK2 (0.68) TYK2JAK1CYP2C19JAK2
SCHEMBL24498434 0.95 TYK2 (0.68) TYK2JAK1CYP2C19JAK2
SCHEMBL26523383 0.94 TYK2 (0.59) TYK2JAK1CYP2C19JAK2
SCHEMBL26118706 0.91 TYK2 (0.55) TYK2JAK1CYP2C19JAK2
SCHEMBL29684980 0.89 TYK2 (0.51) TYK2JAK1CYP2C19JAK2
SCHEMBL26124964 0.89 TYK2 (0.51) TYK2JAK1CYP2C19JAK2
SCHEMBL29684746 0.89 TYK2 (0.66) TYK2JAK1CYP2C19JAK2
SCHEMBL24498358 0.89 TYK2 (0.66) TYK2JAK1CYP2C19JAK2
SCHEMBL26121560 0.86 TYK2 (0.56) TYK2JAK1CYP2C19JAK2

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-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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