SCHEMBL29189987

SCHEMBL29189987

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ VSIR Q9H7M9 2/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ S1PR1 P21453 5/20 0.32
▸ S1PR3 Q99500 5/20 0.32
▸ EGFR P00533 1/20 0.32
▸ PRKAA2 P54646 1/20 0.30
▸ CBLB Q13191 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
SCHEMBL29190080 0.89 VSIR (0.36) PDCD1CD274VSIRESR1ESR2
SCHEMBL29189974 0.87 CD274 (0.34) PDCD1CD274VSIR
SCHEMBL29189971 0.87 CD274 (0.34) PDCD1CD274VSIR
SCHEMBL29190022 0.87 VSIR (0.36) PDCD1CD274VSIR
SCHEMBL29190015 0.86 CBLB (0.35) PDCD1CD274VSIRCBLB
SCHEMBL29190126 0.85 VSIR (0.33) VSIRESR1ESR2
SCHEMBL29189933 0.84 S1PR1 (0.33) VSIRESR1ESR2S1PR1S1PR3
SCHEMBL24818912 0.82 VSIR (0.39) PDCD1CD274VSIRESR1ESR2
SCHEMBL30152682 0.82 VSIR (0.39) PDCD1CD274VSIRESR1ESR2
SCHEMBL29189886 0.81 KCNH2 (0.36) PDCD1CD274VSIR

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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