SCHEMBL22201788

SCHEMBL22201788

CC(O)C1COC(=O)N1c1ccnc(NCc2ccc(CN3CCNCC3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.70

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
SCHEMBL22201747 0.91 IDH1 (0.70) IDH1
SCHEMBL22201789 0.91 IDH1 (0.69) IDH1
SCHEMBL21378486 0.89 IDH1 (0.88) IDH1
SCHEMBL19700771 0.89 IDH1 (0.88) IDH1
SCHEMBL21378483 0.89 IDH1 (0.88) IDH1
SCHEMBL22201597 0.87 IDH1 (0.62) IDH1
SCHEMBL22201520 0.86 IDH1 (0.82) IDH1
SCHEMBL19692715 0.85 IDH1 (0.76) IDH1
SCHEMBL22201785 0.85 IDH1 (0.61) IDH1
SCHEMBL22201790 0.84 IDH1 (0.63) 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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