SCHEMBL21573386

SCHEMBL21573386

O=Nc1cc(Nc2nc(NC3CC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.80
▸ IDH2 P48735 2/20 0.67

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
SCHEMBL29975762 0.89 IDH1 (1.00) IDH1IDH2
SCHEMBL16393229 0.89 IDH1 (1.00) IDH1IDH2
SCHEMBL22271138 0.88 IDH1 (0.84) IDH1IDH2
SCHEMBL16393297 0.86 IDH1 (0.89) IDH1IDH2
SCHEMBL29975197 0.86 IDH1 (0.89) IDH1IDH2
SCHEMBL16392857 0.84 IDH1 (1.00) IDH1IDH2
SCHEMBL21573340 0.82 IDH1 (0.64) IDH1IDH2
SCHEMBL16370080 0.82 IDH1 (1.00) IDH1IDH2
SCHEMBL16370154 0.82 IDH1 (1.00) IDH1IDH2
SCHEMBL16370749 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 — — EP disclosed
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