SCHEMBL22185302

SCHEMBL22185302

COC1CCN(c2ccc3c(c2)N(C(=O)C2CCCCO2)Cc2cccnc2N3)C(C)C1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.78

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
SCHEMBL22184783 0.89 IDH1 (0.75) IDH1
SCHEMBL22184673 0.89 IDH1 (0.62) IDH1
SCHEMBL19741968 0.87 IDH1 (1.00) IDH1
SCHEMBL19741919 0.87 IDH1 (1.00) IDH1
SCHEMBL17814344 0.87 IDH1 (1.00) IDH1
SCHEMBL17814352 0.87 IDH1 (1.00) IDH1
SCHEMBL22184440 0.82 IDH1 (0.73) IDH1
SCHEMBL22185548 0.81 IDH1 (0.80) IDH1
SCHEMBL22184661 0.81 IDH1 (0.80) IDH1
SCHEMBL22184662 0.81 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-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed