SCHEMBL29190086

SCHEMBL29190086

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC3(O)CCC3)c(F)c(F)c2o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 4/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ VSIR Q9H7M9 3/20 0.33
▸ TTK P33981 1/20 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
SCHEMBL29190119 0.89 VSIR (0.36) CD274PDCD1VSIRTTK
SCHEMBL29190110 0.87 IDO1 (0.36) CD274PDCD1VSIR
SCHEMBL29190034 0.86 VSIR (0.34) CD274PDCD1VSIRTTK
SCHEMBL29190015 0.85 CBLB (0.35) CD274PDCD1VSIR
SCHEMBL29189980 0.85 VSIR (0.34) CD274PDCD1VSIR
SCHEMBL29190016 0.84 CD274 (0.39) CD274PDCD1VSIR
SCHEMBL24820786 0.83 VSIR (0.37) CD274PDCD1VSIRTTK
SCHEMBL30152730 0.83 VSIR (0.37) CD274PDCD1VSIRTTK
SCHEMBL29190039 0.78 VSIR (0.34) VSIR
SCHEMBL24820769 0.77 CBLB (0.39) TTK

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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