SCHEMBL29685494

SCHEMBL29685494

CONC(=O)c1cnccc1Nc1cccc(-c2cnn(C)c2)c1N(C)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.37
▸ TTK P33981 2/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ ADRA1A P35348 1/20 0.33

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
SCHEMBL29686026 0.86 TTK (0.39) TYK2TTKMALT1
SCHEMBL24497997 0.86 TTK (0.39) TYK2TTKMALT1
SCHEMBL24497580 0.82 TYK2 (0.51) TYK2
SCHEMBL28952917 0.82 TYK2 (0.38) TYK2TTKLRRK2MALT1
SCHEMBL29684729 0.81 TYK2 (0.41) TYK2TTK
SCHEMBL24497998 0.81 TYK2 (0.41) TYK2TTK
SCHEMBL29685533 0.80 TGFBR1 (0.35) —
SCHEMBL29686407 0.77 KMT2A (0.46) TYK2
SCHEMBL26521806 0.77 ADRA1A (0.41) TTKLRRK2LCKBTKADRA1A
SCHEMBL30490253 0.76 TYK2 (0.47) TYK2CCNCCDK8LRRK2SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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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