SCHEMBL29190119

SCHEMBL29190119

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 8/20 0.36
▸ CD274 Q9NZQ7 7/20 0.33
▸ TTK P33981 1/20 0.31
▸ PDCD1 Q15116 5/20 0.31
▸ CBLB Q13191 1/20 0.31
▸ METTL3 Q86U44 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
SCHEMBL29190015 0.92 CBLB (0.35) VSIRCD274PDCD1CBLB
SCHEMBL29190086 0.89 CD274 (0.34) VSIRCD274TTKPDCD1
SCHEMBL29190057 0.85 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29190060 0.85 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29190112 0.85 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29190039 0.85 VSIR (0.34) VSIRCBLB
SCHEMBL24820523 0.84 VSIR (0.40) VSIRCD274TTKPDCD1CBLB
SCHEMBL30153070 0.84 VSIR (0.40) VSIRCD274TTKPDCD1CBLB
SCHEMBL29190012 0.83 VSIR (0.39) VSIRCD274PDCD1
SCHEMBL29190142 0.83 CBLB (0.36) VSIRCBLB

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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