SCHEMBL19191471

SCHEMBL19191471

CC(Nc1nccc(N2C(=O)OCC2(C)C)n1)c1ccc(CN2CCN(C)CC2)cc1

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
SCHEMBL14846891 1.00 IDH1 (1.00) IDH1
SCHEMBL14831567 0.91 IDH1 (1.00) IDH1
SCHEMBL14831566 0.91 IDH1 (1.00) IDH1
SCHEMBL17538848 0.91 IDH1 (0.84) IDH1
SCHEMBL19700765 0.90 IDH1 (0.82) IDH1
SCHEMBL21378584 0.90 IDH1 (0.82) IDH1
SCHEMBL21378445 0.90 IDH1 (0.84) IDH1
SCHEMBL21378442 0.90 IDH1 (0.84) IDH1
SCHEMBL19304634 0.89 IDH1 (0.80) IDH1
SCHEMBL17531904 0.89 IDH1 (0.80) 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-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
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