SCHEMBL25100564

SCHEMBL25100564

C=CC(=O)N1CCN(C(CC2CC2)c2ccc(CNc3ncc(COC=O)c(N(C)CC)n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.47
▸ IDH2 P48735 14/20 0.47

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
SCHEMBL22591169 0.86 IDH1 (0.47) IDH1IDH2
SCHEMBL24711410 0.84 IDH1 (0.40) IDH1IDH2
SCHEMBL22879087 0.81 PLK1 (0.34) —
SCHEMBL22879029 0.80 IDH1 (0.37) IDH1IDH2
SCHEMBL22591166 0.78 IDH1 (0.45) IDH1IDH2
SCHEMBL22591174 0.76 IDH1 (0.47) IDH1IDH2
SCHEMBL22879085 0.76 IDH1 (0.49) IDH1IDH2
SCHEMBL21541172 0.74 IDH1 (0.46) IDH1IDH2
SCHEMBL20289618 0.73 IDH1 (0.82) IDH1IDH2
SCHEMBL26068256 0.73 IDH1 (0.46) 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-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
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