SCHEMBL30577606

SCHEMBL30577606

COC(=O)c1cc(CN2C[C@H](C)C[C@H](C)C2)c2c(n1)c(C)cn2COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.39
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ DGAT1 O75907 3/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30577632 0.92 KLKB1 (0.42) KLKB1MEN1KMT2ABRPF1DGAT1
SCHEMBL30577672 0.91 KLKB1 (0.36) KLKB1MEN1KMT2ABRPF1GRM2
SCHEMBL31115338 0.90 KDM4E (0.36) KLKB1MEN1KMT2AGRM2GAA
SCHEMBL30540610 0.90 KDM4E (0.36) KLKB1MEN1KMT2AGRM2GAA
SCHEMBL30540453 0.82 KLKB1 (0.39) KLKB1MEN1KMT2AGAASMN1; SMN2
SCHEMBL30540464 0.82 KLKB1 (0.33) KLKB1MEN1KMT2AGRM2GAA
SCHEMBL31115364 0.82 KLKB1 (0.33) KLKB1MEN1KMT2AGRM2GAA
SCHEMBL30540583 0.82 GRM2 (0.35) KLKB1MEN1KMT2AGRM2GAA
SCHEMBL31115342 0.82 GRM2 (0.35) KLKB1MEN1KMT2AGRM2GAA
SCHEMBL30577554 0.81 GRM2 (0.33) KLKB1MEN1KMT2AGRM2GAA

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
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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