SCHEMBL24818910

SCHEMBL24818910

COc1cc(CN[C@@H]2CCC[C@@H]2O)cc2nc(-c3cccc([Si@]4(c5nncn5C)C[C@@H](C)C4)c3)oc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 11/20 0.35
▸ PDCD1 Q15116 3/20 0.35
▸ PDCD1LG2 Q9BQ51 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 8/20 0.32

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
SCHEMBL24818937 0.89 TRPV3 (0.33) —
SCHEMBL24821953 0.86 ESR1 (0.35) —
SCHEMBL24818926 0.80 HPGD (0.38) KDM4EALDH1A1THRB
SCHEMBL24818909 0.80 ESR1 (0.33) —
SCHEMBL24819863 0.79 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL29189910 0.76 CD274 (0.39) CD274PDCD1PDCD1LG2KDM4EALDH1A1
SCHEMBL29189912 0.76 CD274 (0.39) CD274PDCD1PDCD1LG2KDM4EALDH1A1
SCHEMBL24818935 0.73 S1PR1 (0.34) —
SCHEMBL24818932 0.73 KDM4E (0.40) CD274PDCD1KDM4EALDH1A1
SCHEMBL30152637 0.72 CBLB (0.45) —

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
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