SCHEMBL19692984

SCHEMBL19692984

C=CC(=O)N1CCN(Cc2ccc(CCNc3nc(F)cc(N4C(=O)OC[C@H]4CCOC)n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.60
▸ IDH2 P48735 2/20 0.38

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
SCHEMBL19692724 0.89 IDH1 (0.63) IDH1
SCHEMBL22201621 0.84 IDH1 (0.65) IDH1IDH2
SCHEMBL22201829 0.80 IDH1 (0.83) IDH1
SCHEMBL19692697 0.79 IDH1 (0.76) IDH1IDH2
SCHEMBL21400039 0.78 IDH1 (0.82) IDH1IDH2
SCHEMBL21378351 0.75 IDH1 (1.00) IDH1
SCHEMBL19700933 0.75 IDH1 (1.00) IDH1
SCHEMBL21378350 0.75 IDH1 (1.00) IDH1
SCHEMBL19700942 0.75 IDH1 (1.00) IDH1
SCHEMBL21378606 0.74 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464281-A1 MUTANT IDH1 INHIBITORS Eli Lilly and Company (US) 2019-04-10 — — EP claimed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 — — WO claimed
EP-3464281-A1 MUTANT IDH1 INHIBITORS Eli Lilly and Company (US) 2019-04-10 — — EP disclosed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 — — WO disclosed
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