SCHEMBL21573277

SCHEMBL21573277

C[C@@H](Nc1nc(NCC(=O)O)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 6/20 0.77
▸ IDH1 O75874 18/20 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
SCHEMBL16392796 0.92 IDH2 (0.77) IDH2IDH1
SCHEMBL21573426 0.92 IDH2 (0.77) IDH2IDH1
SCHEMBL16393260 0.91 IDH2 (0.75) IDH2IDH1
SCHEMBL21573275 0.90 IDH2 (0.73) IDH2IDH1
SCHEMBL21573380 0.87 IDH1 (1.00) IDH2IDH1
SCHEMBL16393255 0.87 IDH1 (1.00) IDH2IDH1
SCHEMBL16392941 0.87 IDH1 (1.00) IDH2IDH1
SCHEMBL16393305 0.87 IDH1 (1.00) IDH2IDH1
SCHEMBL16392772 0.87 IDH1 (1.00) IDH2IDH1
SCHEMBL29975706 0.87 IDH1 (1.00) IDH2IDH1

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-3686190-A1 SYNTHESIS OF THERAPEUTICALLY ACTIVE COMPOUNDS Agios Pharmaceuticals, Inc. (US) 2020-07-29 — — EP disclosed
EP-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 — — EP disclosed
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