SCHEMBL29739930

SCHEMBL29739930

CCONC(=O)c1c(Nc2cccc(-c3ncn(C)n3)c2OC)ccnc1Nc1cc(C)nc(C)n1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.60
▸ JAK1 P23458 2/20 0.60
▸ KCNH2 Q12809 1/20 0.46
▸ JAK2 O60674 1/20 0.46

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
SCHEMBL29684641 0.90 TYK2 (0.46) TYK2JAK1
SCHEMBL29740101 0.87 TYK2 (0.46) TYK2JAK1
SCHEMBL29686415 0.86 TYK2 (0.46) TYK2JAK1
SCHEMBL24498088 0.84 TYK2 (0.82) TYK2JAK1KCNH2JAK2
SCHEMBL29685167 0.84 TYK2 (0.82) TYK2JAK1KCNH2JAK2
SCHEMBL29685259 0.84 TYK2 (0.45) TYK2JAK1
SCHEMBL30385385 0.84 TYK2 (0.44) TYK2JAK1
SCHEMBL29685477 0.79 TYK2 (0.39) TYK2JAK1KCNH2
SCHEMBL29685307 0.77 TYK2 (0.35) TYK2JAK1
SCHEMBL30490252 0.76 JAK2 (0.55) TYK2JAK1KCNH2JAK2

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-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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