SCHEMBL29765342

SCHEMBL29765342

CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(C(CC4CC4)N4CCNCC4)cc3)nc21

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.77
▸ IDH2 P48735 16/20 0.77

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
SCHEMBL21799043 1.00 IDH1 (0.77) IDH1IDH2
SCHEMBL21799085 1.00 IDH1 (0.77) IDH1IDH2
SCHEMBL20289919 1.00 IDH1 (0.77) IDH1IDH2
SCHEMBL20289879 1.00 IDH1 (0.77) IDH1IDH2
SCHEMBL30341805 1.00 IDH1 (0.77) IDH1IDH2
SCHEMBL24170400 0.97 IDH1 (0.72) IDH1IDH2
SCHEMBL23625845 0.92 IDH1 (0.66) IDH1IDH2
SCHEMBL21799147 0.92 IDH1 (0.75) IDH1IDH2
SCHEMBL21799145 0.92 IDH1 (0.75) IDH1IDH2
SCHEMBL20289610 0.92 IDH1 (0.75) IDH1IDH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109075-B Mutant IDH1 and IDH2 inhibitors 伊莱利利公司 2024-09-20 — — CN disclosed
CN-115109075-A Mutant IDH1 and IDH2 inhibitors 伊莱利利公司 2022-09-27 — — CN disclosed
CN-110072867-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds as inhibitors of mutant IDH1 and IDH2 伊莱利利公司 2022-07-08 — — CN disclosed
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