SCHEMBL21290754

SCHEMBL21290754

CCCNCC1CCC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.40
PDCD1 Q15116 7/20 0.40
PDCD1LG2 Q9BQ51 13/20 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
SCHEMBL21290766 1.00 CD274 (0.40) CD274PDCD1PDCD1LG2
SCHEMBL24121619 0.87 GNAI3 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL14269728 0.85 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL21290617 0.85 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL21673405 0.85 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL25554382 0.84 GNAI3 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL22762715 0.84 CD274 (0.41) CD274PDCD1PDCD1LG2
SCHEMBL6957136 0.81 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL6979357 0.81 CD274 (0.36) CD274PDCD1PDCD1LG2
SCHEMBL25554386 0.80 CD274 (0.38) CD274PDCD1PDCD1LG2

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-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 WO disclosed