SCHEMBL19701063

SCHEMBL19701063

CC1(C)COC(=O)N1c1cc(F)nc(NCc2ccc(C(CC3CC3)N3CCNCC3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.63

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
SCHEMBL21378457 0.89 IDH1 (0.78) IDH1
SCHEMBL19700769 0.89 IDH1 (0.78) IDH1
SCHEMBL19700716 0.87 IDH1 (0.83) IDH1
SCHEMBL19701040 0.85 IDH1 (0.66) IDH1
SCHEMBL22201529 0.82 IDH1 (0.57) IDH1
SCHEMBL19701058 0.81 IDH1 (0.61) IDH1
SCHEMBL21378370 0.79 IDH1 (0.85) IDH1
SCHEMBL21378371 0.79 IDH1 (0.85) IDH1
SCHEMBL19692761 0.77 IDH1 (1.00) IDH1
SCHEMBL19692757 0.77 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 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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