SCHEMBL29190112

SCHEMBL29190112

Cn1cnnc1-c1c(-c2ccccc2)ccc(F)c1-c1nc2cc(CNCC(C)(C)O)cc(F)c2o1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 9/20 0.38
▸ PDCD1 Q15116 6/20 0.31
▸ CD274 Q9NZQ7 6/20 0.31
▸ CEPT1 Q9Y6K0 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ TACR1 P25103 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
SCHEMBL29189980 0.88 VSIR (0.34) VSIRPDCD1CD274
SCHEMBL29190060 0.88 VSIR (0.38) VSIRPDCD1CD274
SCHEMBL29190057 0.88 VSIR (0.38) VSIRPDCD1CD274
SCHEMBL29190021 0.87 VSIR (0.33) VSIRPDCD1CD274
SCHEMBL29189887 0.86 VSIR (0.37) VSIRPDCD1CD274S1PR1S1PR3
SCHEMBL29190012 0.86 VSIR (0.39) VSIRPDCD1CD274
SCHEMBL29190119 0.85 VSIR (0.36) VSIRPDCD1CD274
SCHEMBL24818963 0.83 VSIR (0.42) VSIRPDCD1CD274CEPT1
SCHEMBL30153157 0.83 VSIR (0.42) VSIRPDCD1CD274CEPT1
SCHEMBL29190104 0.82 S1PR1 (0.36) VSIRPDCD1CD274S1PR1S1PR3

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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