SCHEMBL29189910

SCHEMBL29189910

COc1cc(CNC2CCCC2O)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 15/20 0.39
▸ PDCD1 Q15116 5/20 0.36
▸ PDCD1LG2 Q9BQ51 2/20 0.36
▸ THRB P10828 2/20 0.33
▸ VSIR Q9H7M9 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL29189912 1.00 CD274 (0.39) CD274PDCD1PDCD1LG2THRBVSIR
SCHEMBL29190054 0.92 CD274 (0.35) CD274PDCD1PDCD1LG2VSIR
SCHEMBL29190053 0.92 CD274 (0.35) CD274PDCD1PDCD1LG2VSIR
SCHEMBL29189971 0.91 CD274 (0.34) CD274PDCD1PDCD1LG2VSIR
SCHEMBL29189974 0.91 CD274 (0.34) CD274PDCD1PDCD1LG2VSIR
SCHEMBL29190137 0.91 KCNH2 (0.39) CD274PDCD1KDM4EALDH1A1
SCHEMBL29190045 0.90 CD274 (0.34) CD274PDCD1PDCD1LG2VSIR
SCHEMBL29190040 0.90 CD274 (0.34) CD274PDCD1PDCD1LG2VSIR
SCHEMBL29189879 0.90 CD274 (0.34) CD274PDCD1PDCD1LG2VSIR
SCHEMBL29189877 0.90 CD274 (0.34) CD274PDCD1PDCD1LG2VSIR

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
CN-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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