SCHEMBL24445767

SCHEMBL24445767

CSc1ccc(N2CCN(CCn3c(=O)sc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.62
ADORA1 P30542 2/20 0.58

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
SCHEMBL24445981 0.93 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL24446040 0.92 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL24832629 0.91 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL24445980 0.89 ADORA2A (0.72) ADORA2A
SCHEMBL20521590 0.89 ADORA2A (0.65) ADORA2AADORA1
SCHEMBL20521426 0.88 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL20521470 0.88 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL24446097 0.88 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL24398215 0.88 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL24398214 0.88 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