SCHEMBL29393602

SCHEMBL29393602

Cc1cc(CN[C@H](CO)C(=O)O)c(OCc2cncc(C#N)c2)cc1NCc1cccc(-c2ccccc2)c1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 1.00
PDCD1 Q15116 19/20 1.00

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
SCHEMBL25288836 1.00 CD274 (1.00) CD274PDCD1
SCHEMBL24253056 1.00 CD274 (1.00) CD274PDCD1
SCHEMBL26075262 0.92 CD274 (0.86) CD274PDCD1
SCHEMBL24253015 0.91 CD274 (1.00) CD274PDCD1
SCHEMBL29393406 0.91 CD274 (1.00) CD274PDCD1
SCHEMBL25289150 0.91 CD274 (1.00) CD274PDCD1
SCHEMBL29390669 0.90 CD274 (1.00) CD274PDCD1
SCHEMBL25285658 0.90 CD274 (1.00) CD274PDCD1
SCHEMBL24253080 0.90 CD274 (1.00) CD274PDCD1
SCHEMBL25288544 0.88 CD274 (1.00) CD274PDCD1

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
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 WO claimed