SCHEMBL28475620

SCHEMBL28475620

COCc1cc(C(=O)Nc2cccc(-c3cccc(/C=C(\F)c4cc(OC)c(CNCCO)cn4)c3C)c2C)ncc1CNCCO

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.72
▸ CD274 Q9NZQ7 20/20 0.72

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
SCHEMBL21623508 0.95 PDCD1 (0.81) PDCD1CD274
SCHEMBL28478270 0.91 CD274 (0.63) PDCD1CD274
SCHEMBL21622992 0.88 PDCD1 (0.75) PDCD1CD274
SCHEMBL21623002 0.88 CD274 (0.73) PDCD1CD274
SCHEMBL21623008 0.88 PDCD1 (0.73) PDCD1CD274
SCHEMBL28479315 0.86 PDCD1 (0.56) PDCD1CD274
SCHEMBL30112485 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL22769837 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL21623485 0.85 PDCD1 (0.65) PDCD1CD274
SCHEMBL21623480 0.84 PDCD1 (0.62) 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-111886219-A Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2020-11-03 — — CN disclosed
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