SCHEMBL24833501

SCHEMBL24833501

Nc1nc2c(sc(=O)n2CCN2CCN(c3c(F)cc(OCC=O)cc3F)CC2)c2nc(-c3ccco3)nn12

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.64
ADORA1 P30542 1/20 0.47

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
SCHEMBL24445773 0.92 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL24446058 0.92 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL20521680 0.90 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL24446038 0.89 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL24832644 0.88 ADORA2A (0.79) ADORA2A
SCHEMBL24445769 0.84 ADORA2A (0.73) ADORA2A
SCHEMBL25565137 0.84 ADORA2A (0.76) ADORA2AADORA1
SCHEMBL24832626 0.83 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL23589225 0.83 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL20521737 0.83 ADORA2A (0.77) 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
EP-4112623-A1 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2023-01-04 EP disclosed