SCHEMBL22185307

SCHEMBL22185307

CC1CCC(C(=O)N2Cc3cccnc3Nc3ccccc32)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
SCHEMBL19741980 1.00 IDH1 (1.00) IDH1
SCHEMBL21466648 1.00 IDH1 (1.00) IDH1
SCHEMBL19729618 0.90 IDH1 (0.82) IDH1
SCHEMBL22184435 0.89 IDH1 (1.00) IDH1
SCHEMBL17806793 0.89 IDH1 (1.00) IDH1
SCHEMBL19741925 0.89 IDH1 (1.00) IDH1
SCHEMBL21466647 0.89 IDH1 (1.00) IDH1
SCHEMBL19741938 0.89 IDH1 (1.00) IDH1
SCHEMBL17814615 0.89 IDH1 (1.00) IDH1
SCHEMBL17814620 0.89 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