SCHEMBL24660271

SCHEMBL24660271

COc1nc(-c2cccc(Br)c2C)cnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.43
PDCD1 Q15116 19/20 0.43
PDCD1LG2 Q9BQ51 1/20 0.38

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
SCHEMBL23103152 0.89 CD274 (0.47) CD274PDCD1PDCD1LG2
SCHEMBL31353950 0.89 CD274 (0.47) CD274PDCD1PDCD1LG2
SCHEMBL31354213 0.81 PDCD1 (0.52) CD274PDCD1
SCHEMBL23103147 0.81 PDCD1 (0.52) CD274PDCD1
SCHEMBL23103161 0.79 CD274 (0.42) CD274PDCD1PDCD1LG2
SCHEMBL31004236 0.79 CD274 (0.42) CD274PDCD1PDCD1LG2
SCHEMBL24660269 0.77 PDCD1 (0.37) CD274PDCD1
SCHEMBL31354292 0.76 PDCD1 (0.43) CD274PDCD1
SCHEMBL31004283 0.72 PDCD1 (0.55) CD274PDCD1
SCHEMBL31004372 0.72 PDCD1 (0.55) 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-2022166991-A1 INDOLINE COMPOUND 南京明德新药研发有限公司 2022-08-11 WO disclosed