SCHEMBL22769788

SCHEMBL22769788

Cc1c(NC(=O)c2cc(C3CC3)c(CNC(CC(=O)O)C(=O)O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CNC(CC(=O)O)C(=O)O)cn2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 1.00
▸ CD274 Q9NZQ7 20/20 1.00

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
SCHEMBL30112484 1.00 PDCD1 (1.00) PDCD1CD274
SCHEMBL22779883 1.00 PDCD1 (1.00) PDCD1CD274
SCHEMBL30112669 1.00 PDCD1 (1.00) PDCD1CD274
SCHEMBL22779824 1.00 PDCD1 (1.00) PDCD1CD274
SCHEMBL24659911 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL31593235 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL22769858 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL22779980 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL21229266 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL30112531 0.92 PDCD1 (1.00) 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
EP-3750887-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-12-16 — — EP disclosed
Send feedback