SCHEMBL24252598

SCHEMBL24252598

Cc1cc(CN)c(OCc2cncc(C#N)c2)cc1NCc1cccc(-c2ccc3c(c2)OCCO3)c1C

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.77
CD274 Q9NZQ7 20/20 0.77

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
SCHEMBL24253067 0.93 PDCD1 (0.77) PDCD1CD274
SCHEMBL19750236 0.90 PDCD1 (0.73) PDCD1CD274
SCHEMBL24252996 0.89 PDCD1 (0.73) PDCD1CD274
SCHEMBL24252602 0.87 PDCD1 (1.00) PDCD1CD274
SCHEMBL29390475 0.87 PDCD1 (1.00) PDCD1CD274
SCHEMBL26075735 0.87 PDCD1 (1.00) PDCD1CD274
SCHEMBL19750223 0.85 PDCD1 (0.65) PDCD1CD274
SCHEMBL22757962 0.85 PDCD1 (0.80) PDCD1CD274
SCHEMBL17199462 0.85 PDCD1 (0.70) PDCD1CD274
SCHEMBL19750224 0.85 PDCD1 (0.64) PDCD1CD274

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 2 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 disclosed
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 disclosed