SCHEMBL29190166

SCHEMBL29190166

COc1cc(CNCCOC(C)C)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 10/20 0.37
▸ PDCD1 Q15116 4/20 0.34
▸ CD274 Q9NZQ7 4/20 0.34
▸ CLK1 P49759 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 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
SCHEMBL29189911 0.94 VSIR (0.38) VSIRPDCD1CD274CLK1SMN1; SMN2
SCHEMBL29189957 0.92 VSIR (0.37) VSIRPDCD1CD274SMN1; SMN2
SCHEMBL29190162 0.92 VSIR (0.38) VSIRPDCD1CD274CLK1SMN1; SMN2
SCHEMBL29189886 0.88 KCNH2 (0.36) VSIRPDCD1CD274
SCHEMBL29190133 0.87 VSIR (0.35) VSIRPDCD1CD274
SCHEMBL29190012 0.87 VSIR (0.39) VSIRPDCD1CD274
SCHEMBL29190002 0.87 VSIR (0.39) VSIRPDCD1CD274
SCHEMBL29189956 0.86 KCNH2 (0.37) VSIRPDCD1CD274
SCHEMBL29189973 0.86 CD274 (0.37) VSIRPDCD1CD274
SCHEMBL29189955 0.86 MDM2 (0.31) VSIRPDCD1CD274CLK1SMN1; SMN2

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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