SCHEMBL22185487

SCHEMBL22185487

CC(C)(C)OC1CCC(C(=O)N2Cc3cccnc3Nc3ccc(N4CC5CCC(C4)O5)cc32)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
SCHEMBL17814197 1.00 IDH1 (1.00) IDH1
SCHEMBL17814495 0.95 IDH1 (1.00) IDH1
SCHEMBL17814274 0.91 IDH1 (1.00) IDH1
SCHEMBL19741962 0.91 IDH1 (1.00) IDH1
SCHEMBL21466776 0.91 IDH1 (1.00) IDH1
SCHEMBL22184740 0.90 IDH1 (0.91) IDH1
SCHEMBL19756920 0.89 IDH1 (1.00) IDH1
SCHEMBL17814368 0.88 IDH1 (1.00) IDH1
SCHEMBL17814480 0.88 IDH1 (1.00) IDH1
SCHEMBL17814660 0.88 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-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed