SCHEMBL21525243

SCHEMBL21525243

C[C@H](Nc1nccc(-c2cncn2CC(F)(F)F)n1)c1cc2cccc(Cl)c2[nH]c1=O

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 0.74

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
SCHEMBL21525337 0.89 IDH1 (0.60) IDH1
SCHEMBL21525260 0.87 IDH1 (0.58) IDH1
SCHEMBL21525367 0.86 IDH1 (0.71) IDH1
SCHEMBL21525224 0.86 IDH1 (0.71) IDH1
SCHEMBL17601657 0.85 IDH1 (1.00) IDH1
SCHEMBL17601658 0.85 IDH1 (1.00) IDH1
SCHEMBL21525239 0.81 IDH1 (0.71) IDH1
SCHEMBL21525215 0.79 IDH1 (0.70) IDH1
SCHEMBL21525353 0.79 IDH1 (0.54) IDH1
SCHEMBL21525320 0.79 IDH1 (0.69) 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-3194383-B1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 — — EP claimed
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