SCHEMBL29190080

SCHEMBL29190080

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC3CCC3)cc(C3CC3)c2o1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 9/20 0.36
▸ IDO1 P14902 1/20 0.33
▸ CD274 Q9NZQ7 5/20 0.32
▸ PDCD1 Q15116 4/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CBLB Q13191 1/20 0.30
▸ JAK2 O60674 2/20 0.30
▸ JAK1 P23458 2/20 0.30
▸ TYK2 P29597 2/20 0.30
▸ JAK3 P52333 2/20 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
SCHEMBL29189893 0.92 CD274 (0.39) VSIRIDO1CD274PDCD1CBLB
SCHEMBL29189973 0.91 CD274 (0.37) VSIRIDO1CD274PDCD1
SCHEMBL29190015 0.90 CBLB (0.35) VSIRCD274PDCD1CBLB
SCHEMBL29189987 0.89 PDCD1 (0.33) VSIRCD274PDCD1ESR1ESR2
SCHEMBL29189949 0.89 S1PR1 (0.36) VSIRIDO1CD274PDCD1CBLB
SCHEMBL29189956 0.89 KCNH2 (0.37) VSIRIDO1CD274PDCD1
SCHEMBL29189974 0.89 CD274 (0.34) VSIRCD274PDCD1
SCHEMBL29189971 0.89 CD274 (0.34) VSIRCD274PDCD1
SCHEMBL29190022 0.89 VSIR (0.36) VSIRCD274PDCD1
SCHEMBL29189986 0.88 S1PR1 (0.36) VSIRIDO1CD274PDCD1CBLB

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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