SCHEMBL21573377

SCHEMBL21573377

CCNc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.83
▸ IDH2 P48735 10/20 0.83

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
SCHEMBL29599204 1.00 IDH1 (0.83) IDH1IDH2
SCHEMBL21573547 1.00 IDH1 (0.83) IDH1IDH2
Vorasidenib SCHEMBL29599150 0.91 IDH1 (1.00) IDH1IDH2
Vorasidenib SCHEMBL16393139 0.91 IDH1 (1.00) IDH1IDH2
Vorasidenib SCHEMBL16393055 0.91 IDH1 (1.00) IDH1IDH2
Vorasidenib SCHEMBL16393169 0.91 IDH1 (1.00) IDH1IDH2
Vorasidenib SCHEMBL17971596 0.91 IDH1 (1.00) IDH1IDH2
Vorasidenib SCHEMBL18748592 0.91 IDH1 (1.00) IDH1IDH2
Vorasidenib SCHEMBL29422965 0.91 IDH1 (1.00) IDH1IDH2
Vorasidenib SCHEMBL16393154 0.91 IDH1 (1.00) 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 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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