SCHEMBL25286355

SCHEMBL25286355

Cc1cc(CNC(CO)CC(=O)O)c(OCc2cncc(C#N)c2)cc1NCc1cccc(-c2ccccc2)c1C

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.84
PDCD1 Q15116 19/20 0.84

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
SCHEMBL24253096 1.00 CD274 (0.84) CD274PDCD1
SCHEMBL25289150 0.92 CD274 (1.00) CD274PDCD1
SCHEMBL29393406 0.92 CD274 (1.00) CD274PDCD1
SCHEMBL24253015 0.92 CD274 (1.00) CD274PDCD1
SCHEMBL26075239 0.89 CD274 (0.85) CD274PDCD1
SCHEMBL32689503 0.89 CD274 (1.00) CD274PDCD1
SCHEMBL24253041 0.89 CD274 (1.00) CD274PDCD1
SCHEMBL24253031 0.89 CD274 (1.00) CD274PDCD1
SCHEMBL24252526 0.89 CD274 (1.00) CD274PDCD1
SCHEMBL24252528 0.89 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP claimed
CN-114075123-B Benzylamine derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2023-06-06 CN claimed
CN-114075123-A Benzylamine derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2022-02-22 CN claimed