SCHEMBL21525307

SCHEMBL21525307

C[C@H](Nc1nccc(-n2nnnc2C2CC2)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
SCHEMBL21525291 0.88 IDH1 (0.71) IDH1
SCHEMBL17601467 0.85 IDH1 (1.00) IDH1
SCHEMBL17601468 0.85 IDH1 (1.00) IDH1
SCHEMBL17601567 0.85 IDH1 (0.83) IDH1
SCHEMBL17601565 0.85 IDH1 (0.83) IDH1
SCHEMBL21525258 0.80 IDH1 (0.70) IDH1
SCHEMBL21525257 0.79 IDH1 (0.70) IDH1
SCHEMBL21525269 0.78 IDH1 (0.71) IDH1
SCHEMBL21525259 0.78 IDH1 (0.71) IDH1
SCHEMBL21525389 0.77 IDH1 (0.71) 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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