SCHEMBL24331900

SCHEMBL24331900

C=C(O)CNc1nc(NCCCNC(=O)OC(C)(C)C)nc(NCC(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ BRD4 O60885 7/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ BCHE P06276 1/20 0.37

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
SCHEMBL16134193 0.94 STK17B (0.51) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL23543324 0.89 STK17B (0.47) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL31436060 0.85 STK17B (0.58) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL31436112 0.80 TDP1 (0.62) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL31436080 0.80 TDP1 (0.58) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL31436071 0.79 TDP1 (0.69) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL31436059 0.79 STK17B (0.62) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL31436103 0.77 STK17B (0.50) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL31436097 0.77 STK17B (0.50) STK17BSTK17AMEN1GAAKMT2A
SCHEMBL17564533 0.77 STK17B (0.62) STK17BSTK17AMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3960754-A2 ALPHA4BETA7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS Protagonist Therapeutics, Inc. (US) 2022-03-02 — — EP disclosed
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