SCHEMBL21887098

SCHEMBL21887098

Nc1nc2c(sc(=O)n2CCN2CCN(c3ccc(S)cc3F)CC2)c2nc(-c3ccco3)nn12

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.75

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
SCHEMBL24445775 0.91 ADORA2A (0.77) ADORA2A
SCHEMBL24446021 0.91 ADORA2A (0.75) ADORA2A
SCHEMBL25541278 0.90 ADORA2A (0.74) ADORA2A
SCHEMBL20521505 0.90 ADORA2A (0.77) ADORA2A
SCHEMBL24445769 0.90 ADORA2A (0.73) ADORA2A
SCHEMBL24445980 0.89 ADORA2A (0.72) ADORA2A
SCHEMBL24445996 0.89 ADORA2A (0.72) ADORA2A
SCHEMBL25565137 0.89 ADORA2A (0.76) ADORA2A
SCHEMBL21338858 0.89 ADORA2A (0.78) ADORA2A
SCHEMBL24446052 0.89 ADORA2A (0.81) ADORA2A

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-2020053263-A1 THIOCARBAMATE DERIVATIVES AS A2A INHIBITORS, PHARMACEUTICAL COMPOSITION THEREOF AND COMBINATIONS WITH ANTICANCER AGENTS ITEOS THERAPEUTICS S.A. (BE) 2020-03-19 WO disclosed