SCHEMBL29189934

SCHEMBL29189934

COCCNCc1ccc2oc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 10/20 0.38
▸ S1PR1 P21453 3/20 0.38
▸ S1PR3 Q99500 3/20 0.38
▸ CD274 Q9NZQ7 6/20 0.36
▸ PDCD1 Q15116 5/20 0.36
▸ HPSE Q9Y251 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CETP P11597 1/20 0.34

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
SCHEMBL29190012 0.89 VSIR (0.39) VSIRCD274PDCD1
SCHEMBL29190068 0.89 CD274 (0.36) VSIRCD274PDCD1HPSE
SCHEMBL29190002 0.88 VSIR (0.39) VSIRCD274PDCD1CETP
SCHEMBL29189911 0.87 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL29189992 0.86 VSIR (0.37) VSIRS1PR1S1PR3CD274PDCD1
SCHEMBL29190022 0.85 VSIR (0.36) VSIRCD274PDCD1
SCHEMBL29190016 0.84 CD274 (0.39) VSIRCD274PDCD1
SCHEMBL29190162 0.83 VSIR (0.38) VSIRCD274PDCD1
SCHEMBL24819865 0.82 VSIR (0.43) VSIRCD274PDCD1
SCHEMBL30152789 0.82 VSIR (0.43) 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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