SCHEMBL22185348

SCHEMBL22185348

N#CC1(c2ccc3c(c2)N(C(=O)C2CCCCC2)Cc2cccnc2N3)CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.78
NR1I2 O75469 1/20 0.58

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
SCHEMBL22184491 0.94 IDH1 (0.76) IDH1
SCHEMBL19741983 0.88 IDH1 (1.00) IDH1
SCHEMBL17814264 0.88 IDH1 (1.00) IDH1
SCHEMBL19756873 0.87 IDH1 (0.70) IDH1
SCHEMBL22184704 0.84 IDH1 (0.62) IDH1
SCHEMBL22184644 0.82 IDH1 (0.79) IDH1
SCHEMBL22184904 0.82 IDH1 (0.80) IDH1
SCHEMBL17814261 0.81 IDH1 (1.00) IDH1
SCHEMBL21466902 0.81 IDH1 (0.78) IDH1
SCHEMBL17814612 0.81 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