SCHEMBL22201829

SCHEMBL22201829

C=CC(=O)N1CCN(Cc2ccc(CNc3nc(F)cc(N4C(=O)OCC4C(C)OC)n3)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.83

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
SCHEMBL19700942 0.91 IDH1 (1.00) IDH1
SCHEMBL21378350 0.91 IDH1 (1.00) IDH1
SCHEMBL19700933 0.91 IDH1 (1.00) IDH1
SCHEMBL21378351 0.91 IDH1 (1.00) IDH1
SCHEMBL22201523 0.87 IDH1 (0.63) IDH1
SCHEMBL22201621 0.86 IDH1 (0.65) IDH1
SCHEMBL21378606 0.83 IDH1 (1.00) IDH1
SCHEMBL21378604 0.83 IDH1 (1.00) IDH1
SCHEMBL19700784 0.83 IDH1 (1.00) IDH1
SCHEMBL21378454 0.82 IDH1 (1.00) 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 1 patent. 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
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