SCHEMBL21525213

SCHEMBL21525213

CC(C)CC(=O)Nc1ccnc(NC(C)c2cc3cc(Cl)ccc3[nH]c2=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 20/20 1.00

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
SCHEMBL17601186 1.00 IDH1 (1.00) IDH1
SCHEMBL17601306 0.92 IDH1 (0.85) IDH1
SCHEMBL21525173 0.92 IDH1 (0.85) IDH1
SCHEMBL17601314 0.89 IDH1 (0.81) IDH1
SCHEMBL17601313 0.89 IDH1 (0.81) IDH1
SCHEMBL21525338 0.89 IDH1 (0.82) IDH1
SCHEMBL17601133 0.89 IDH1 (0.82) IDH1
SCHEMBL17607224 0.89 IDH1 (0.82) IDH1
SCHEMBL17601650 0.89 IDH1 (0.82) IDH1
SCHEMBL17601668 0.87 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-3194383-B1 QUINOLINONE PYRIMIDINES COMPOSITIONS AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 — — EP claimed
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