SCHEMBL29190012

SCHEMBL29190012

COCCNCc1cc(F)c2oc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 11/20 0.39
▸ CD274 Q9NZQ7 10/20 0.35
▸ PDCD1 Q15116 9/20 0.35
▸ AVPR1B P47901 1/20 0.32
▸ SCN8A Q9UQD0 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
SCHEMBL29190002 0.95 VSIR (0.39) VSIRCD274PDCD1
SCHEMBL29189911 0.93 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29189992 0.92 VSIR (0.37) VSIRCD274PDCD1
SCHEMBL29190022 0.91 VSIR (0.36) VSIRCD274PDCD1AVPR1B
SCHEMBL29190162 0.89 VSIR (0.38) VSIRCD274PDCD1SCN8A
SCHEMBL29189934 0.89 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29190016 0.88 CD274 (0.39) VSIRCD274PDCD1
SCHEMBL29190038 0.88 VSIR (0.37) VSIRCD274PDCD1SCN8A
SCHEMBL29189925 0.88 VSIR (0.35) VSIRCD274PDCD1
SCHEMBL29190166 0.87 VSIR (0.37) 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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