SCHEMBL31042974

SCHEMBL31042974

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(F)nc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.38
▸ SSTR4 P31391 1/20 0.35
▸ BACE1 P56817 4/20 0.33
▸ CACNA1G O43497 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.30
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL24355511 0.79 SOS1 (0.35) SOS1
SCHEMBL19245288 0.75 SSTR4 (0.41) SOS1SSTR4BACE1PAX8
SCHEMBL10329954 0.74 SOS1 (0.38) SOS1CACNA1GCACNA1BCACNA1CPAX8
SCHEMBL1053992 0.73 HSP90AA1 (0.36) SOS1CACNA1GCACNA1BCACNA1CPAX8
SCHEMBL25371246 0.73 SOS1 (0.32) SOS1
SCHEMBL20045606 0.72 HDAC1 (0.36) SOS1SSTR4BACE1BACE2GRM2
SCHEMBL29251017 0.72 SSTR4 (0.38) SOS1SSTR4BACE1BACE2
SCHEMBL12397947 0.71 NOTUM (0.47) SOS1BACE1CACNA1GCACNA1BCACNA1C
SCHEMBL31168497 0.71 PAX8 (0.41) SOS1SSTR4CACNA1GCACNA1BCACNA1C
SCHEMBL27259824 0.71 APP (0.34) SSTR4BACE1CACNA1GCACNA1BCACNA1C

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-4658647-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2025-12-10 — — EP disclosed
WO-2024160722-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2024-08-08 — — WO disclosed
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