SCHEMBL21518019

SCHEMBL21518019

CC(Nc1ncc2c(n1)N(CC(F)F)C(=O)OC2)c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.61
▸ IDH2 P48735 15/20 0.61

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
SCHEMBL18459835 1.00 IDH1 (0.61) IDH1IDH2
SCHEMBL18459563 0.95 IDH1 (0.62) IDH1IDH2
SCHEMBL18459593 0.93 IDH1 (0.64) IDH1IDH2
SCHEMBL18459269 0.93 IDH1 (0.64) IDH1IDH2
SCHEMBL18459834 0.92 IDH1 (0.62) IDH1IDH2
SCHEMBL21517986 0.92 IDH1 (0.62) IDH1IDH2
SCHEMBL18459833 0.89 IDH1 (0.76) IDH1IDH2
SCHEMBL18459285 0.89 IDH1 (0.76) IDH1IDH2
SCHEMBL18459830 0.89 IDH1 (0.76) IDH1IDH2
SCHEMBL21517971 0.87 IDH1 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328866-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2019-10-30 — — EP disclosed
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