SCHEMBL20289762

SCHEMBL20289762

CCN1C(=O)OCc2cnc(NCc3ccc(C(CC4CC4)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc21

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.65
▸ IDH2 P48735 17/20 0.65

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
SCHEMBL22879074 0.93 IDH1 (0.62) IDH1IDH2
SCHEMBL22572279 0.91 IDH1 (0.79) IDH1IDH2
SCHEMBL20289761 0.91 IDH1 (0.79) IDH1IDH2
SCHEMBL25170990 0.91 IDH1 (0.79) IDH1IDH2
SCHEMBL23343408 0.91 IDH1 (0.79) IDH1IDH2
SCHEMBL20289618 0.88 IDH1 (0.82) IDH1IDH2
SCHEMBL24170404 0.88 IDH1 (0.75) IDH1IDH2
SCHEMBL20289880 0.85 IDH1 (0.61) IDH1IDH2
SCHEMBL22879035 0.83 IDH1 (0.48) IDH1IDH2
SCHEMBL22879073 0.83 IDH1 (0.77) IDH1IDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 — — EP disclosed
EP-3763717-A1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE AND PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND CO. (US) 2021-01-13 — — EP disclosed
EP-3555105-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2020-10-28 — — EP disclosed
WO-2018111707-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY (US) 2018-06-21 — — WO disclosed
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