SCHEMBL31354155

SCHEMBL31354155

CC1(C)OB(c2cccc(NC(=O)c3ccc(CN4CC[C@@H](O)C4)cn3)c2Cl)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 16/20 0.51
▸ CD274 Q9NZQ7 16/20 0.51
▸ LIPE Q05469 2/20 0.42
▸ S1PR1 P21453 1/20 0.40
▸ F10 P00742 1/20 0.40

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
SCHEMBL31353887 0.92 PDCD1 (0.56) PDCD1CD274
SCHEMBL31354281 0.92 PDCD1 (0.56) PDCD1CD274
SCHEMBL30836689 0.84 PDCD1 (0.51) PDCD1CD274LIPE
SCHEMBL20293721 0.82 PDCD1 (0.57) PDCD1CD274S1PR1
SCHEMBL20293720 0.82 PDCD1 (0.57) PDCD1CD274S1PR1
SCHEMBL31353737 0.82 PDCD1 (0.57) PDCD1CD274S1PR1
SCHEMBL20304928 0.82 PDCD1 (0.57) PDCD1CD274S1PR1
SCHEMBL23002503 0.79 PDCD1 (0.75) PDCD1CD274
SCHEMBL31137942 0.79 PDCD1 (0.75) PDCD1CD274
SCHEMBL22675452 0.78 PDCD1 (0.60) 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
WO-2025029075-A1 NOVEL BIPHENYL DERIVATIVE AS PD-L1 INHIBITOR (주)아이랩 2025-02-06 — — WO disclosed
Send feedback