SCHEMBL19700751

SCHEMBL19700751

C=CC(=O)N1CCN(C(CC2CC2)c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4CC)n3)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.82
▸ IDH2 P48735 4/20 0.62

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
SCHEMBL19692768 0.91 IDH1 (0.90) IDH1IDH2
SCHEMBL19692770 0.91 IDH1 (0.90) IDH1IDH2
SCHEMBL21399958 0.91 IDH1 (0.90) IDH1IDH2
SCHEMBL22201528 0.87 IDH1 (0.62) IDH1
SCHEMBL21378365 0.86 IDH1 (1.00) IDH1
SCHEMBL19701258 0.86 IDH1 (1.00) IDH1
SCHEMBL21378364 0.86 IDH1 (1.00) IDH1
SCHEMBL21399895 0.85 IDH1 (0.83) IDH1IDH2
SCHEMBL19692711 0.82 IDH1 (0.76) IDH1
SCHEMBL21399957 0.82 IDH1 (0.76) IDH1

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-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP disclosed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 — — WO disclosed
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