SCHEMBL28839008

SCHEMBL28839008

CCONC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1ccc(C)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 13/20 0.42
▸ TYK2 P29597 13/20 0.42
▸ JAK2 O60674 12/20 0.40
▸ KCNH2 Q12809 5/20 0.40
▸ PDE4D Q08499 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ KIT P10721 3/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ PTPRF P10586 1/20 0.35
▸ ESRRA P11474 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL29739841 1.00 JAK1 (0.42) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL30490285 0.92 TYK2 (0.41) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL28839791 0.90 JAK1 (0.40) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL29739920 0.90 JAK1 (0.40) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL29739986 0.90 JAK1 (0.40) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL28839029 0.90 JAK1 (0.40) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL30490264 0.88 TYK2 (0.41) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL26117687 0.86 TYK2 (0.44) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL29684948 0.86 TYK2 (0.44) JAK1TYK2JAK2KCNH2PDE4D
SCHEMBL26534722 0.85 TYK2 (0.44) JAK1TYK2JAK2KCNH2JAK3

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 2 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
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