SCHEMBL28811781

SCHEMBL28811781

COc1c(B2OC(C)(C)C(C)(C)O2)cnc(C)c1OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.36
DGAT1 O75907 1/20 0.33
LIPE Q05469 3/20 0.31
SIRT6 Q8N6T7 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NNMT P40261 1/20 0.30

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
SCHEMBL29843434 0.87 DGAT1 (0.34) UCHL1DGAT1LIPEMAPTKMT2A
SCHEMBL28811788 0.87 DGAT1 (0.34) UCHL1DGAT1LIPEMAPTKMT2A
SCHEMBL28811387 0.78 UCHL1 (0.35) UCHL1DGAT1
SCHEMBL28393250 0.76 UCHL1 (0.35) UCHL1DGAT1LIPEKMT2A
SCHEMBL29165511 0.74 ROCK2 (0.37) UCHL1DGAT1LIPE
SCHEMBL28811820 0.74 NNMT (0.38) UCHL1DGAT1LIPESIRT6NNMT
SCHEMBL14745971 0.71 UCHL1 (0.33) UCHL1DGAT1LIPEKMT2A
SCHEMBL29020404 0.71 NFE2L2 (0.35) UCHL1LIPEKMT2A
SCHEMBL28811379 0.71 PDGFRB (0.40) DGAT1
SCHEMBL28811732 0.71 DGAT1 (0.32) DGAT1

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-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed