SCHEMBL28963545

SCHEMBL28963545

Cn1c(C(=O)Nc2ccnc(Br)c2Cl)nc2c1CCN(C(=O)O)C2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 0.52
CD274 Q9NZQ7 20/20 0.52

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
SCHEMBL28963517 0.89 PDCD1 (0.64) PDCD1CD274
SCHEMBL30340831 0.87 PDCD1 (0.47) PDCD1CD274
SCHEMBL30340889 0.86 PDCD1 (0.57) PDCD1CD274
SCHEMBL30010102 0.85 PDCD1 (0.59) PDCD1CD274
SCHEMBL28339595 0.85 PDCD1 (0.59) PDCD1CD274
SCHEMBL27036509 0.83 PDCD1 (0.64) PDCD1CD274
SCHEMBL27036513 0.79 PDCD1 (0.68) PDCD1CD274
SCHEMBL28632359 0.79 PDCD1 (0.66) PDCD1CD274
SCHEMBL28339592 0.78 PDCD1 (0.58) PDCD1CD274
SCHEMBL28905489 0.77 PDCD1 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611924-A PD-1/PD-L1 inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2023-01-17 CN disclosed