SCHEMBL18557071

SCHEMBL18557071

CCNc1nc(NCC(C)O)nc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 7/20 0.71
▸ IDH1 O75874 16/20 0.61

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
SCHEMBL16392782 0.95 IDH2 (0.77) IDH2IDH1
SCHEMBL21573412 0.84 IDH1 (0.67) IDH2IDH1
SCHEMBL29560689 0.83 IDH2 (0.66) IDH2IDH1
SCHEMBL21573296 0.83 IDH2 (1.00) IDH2IDH1
SCHEMBL18186729 0.83 IDH2 (0.66) IDH2IDH1
SCHEMBL16392809 0.83 IDH2 (1.00) IDH2IDH1
SCHEMBL18557150 0.83 IDH2 (0.76) IDH2IDH1
SCHEMBL20938735 0.82 IDH2 (0.76) IDH2IDH1
SCHEMBL18557146 0.81 IDH1 (0.54) IDH2IDH1
SCHEMBL20402848 0.80 IDH2 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579324-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-02-28 — — US disclosed
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