SCHEMBL29190110

SCHEMBL29190110

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC3CCC3)c(F)c(F)c2o1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ VSIR Q9H7M9 8/20 0.34
▸ CD274 Q9NZQ7 5/20 0.34
▸ PDCD1 Q15116 4/20 0.34
▸ WNK1 Q9H4A3 1/20 0.30
▸ GNRHR P30968 1/20 0.30
▸ HTR3A P46098 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
SCHEMBL29190034 0.92 VSIR (0.34) VSIRCD274PDCD1
SCHEMBL29189893 0.88 CD274 (0.39) IDO1VSIRCD274PDCD1
SCHEMBL29190086 0.87 CD274 (0.34) VSIRCD274PDCD1
SCHEMBL29189980 0.87 VSIR (0.34) VSIRCD274PDCD1
SCHEMBL29190080 0.86 VSIR (0.36) IDO1VSIRCD274PDCD1
SCHEMBL29190016 0.85 CD274 (0.39) VSIRCD274PDCD1
SCHEMBL29189949 0.85 S1PR1 (0.36) IDO1VSIRCD274PDCD1
SCHEMBL29189973 0.85 CD274 (0.37) IDO1VSIRCD274PDCD1
SCHEMBL29189986 0.84 S1PR1 (0.36) IDO1VSIRCD274PDCD1
SCHEMBL29189956 0.84 KCNH2 (0.37) IDO1VSIRCD274PDCD1GNRHR

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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