SCHEMBL29189893

SCHEMBL29189893

Cc1cc(CNCC2CCC2)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 10/20 0.39
▸ PDCD1 Q15116 9/20 0.39
▸ VSIR Q9H7M9 9/20 0.37
▸ IDO1 P14902 1/20 0.34
▸ CETP P11597 1/20 0.33
▸ CBLB Q13191 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
SCHEMBL29190080 0.92 VSIR (0.36) CD274PDCD1VSIRIDO1CBLB
SCHEMBL29189949 0.91 S1PR1 (0.36) CD274PDCD1VSIRIDO1CBLB
SCHEMBL29189973 0.91 CD274 (0.37) CD274PDCD1VSIRIDO1
SCHEMBL29189986 0.90 S1PR1 (0.36) CD274PDCD1VSIRIDO1CBLB
SCHEMBL29189956 0.90 KCNH2 (0.37) CD274PDCD1VSIRIDO1
SCHEMBL29190104 0.88 S1PR1 (0.36) CD274PDCD1VSIRCBLB
SCHEMBL29189886 0.88 KCNH2 (0.36) CD274PDCD1VSIR
SCHEMBL29190110 0.88 IDO1 (0.36) CD274PDCD1VSIRIDO1
SCHEMBL29190002 0.85 VSIR (0.39) CD274PDCD1VSIRCETP
SCHEMBL29190133 0.85 VSIR (0.35) CD274PDCD1VSIR

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
Send feedback