SCHEMBL29189980

SCHEMBL29189980

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC(C)(C)O)c(F)c(F)c2o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 5/20 0.34
▸ CD274 Q9NZQ7 3/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ PDCD1LG2 Q9BQ51 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
SCHEMBL29190112 0.88 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29190110 0.87 IDO1 (0.36) VSIRCD274PDCD1
SCHEMBL29190034 0.87 VSIR (0.34) VSIRCD274PDCD1
SCHEMBL29190016 0.86 CD274 (0.39) VSIRCD274PDCD1PDCD1LG2
SCHEMBL29190086 0.85 CD274 (0.34) VSIRCD274PDCD1
SCHEMBL24820083 0.82 VSIR (0.39) VSIRCD274PDCD1PDCD1LG2
SCHEMBL30153119 0.82 VSIR (0.39) VSIRCD274PDCD1PDCD1LG2
SCHEMBL29189920 0.81 CD274 (0.35) VSIRCD274PDCD1PDCD1LG2
SCHEMBL29189887 0.79 VSIR (0.37) VSIRCD274PDCD1
SCHEMBL29190057 0.79 VSIR (0.38) VSIRCD274PDCD1

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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