SCHEMBL24445773

SCHEMBL24445773

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

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.69
ADORA1 P30542 1/20 0.48

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
SCHEMBL24833501 0.92 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL24832644 0.91 ADORA2A (0.79) ADORA2A
SCHEMBL20521737 0.90 ADORA2A (0.77) ADORA2A
SCHEMBL24832626 0.90 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL23589225 0.90 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL25565137 0.90 ADORA2A (0.76) ADORA2AADORA1
SCHEMBL24832666 0.90 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL20521599 0.90 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL20521451 0.90 ADORA2A (0.68) ADORA2A
SCHEMBL24446038 0.89 ADORA2A (0.60) ADORA2AADORA1

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 2 patents. 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
EP-3601296-B1 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2022-05-25 EP disclosed