SCHEMBL17814274

SCHEMBL17814274

CO[C@H]1CC[C@H](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
SCHEMBL21466776 1.00 IDH1 (1.00) IDH1
SCHEMBL19741962 1.00 IDH1 (1.00) IDH1
SCHEMBL17814541 0.93 IDH1 (1.00) IDH1
SCHEMBL22184740 0.92 IDH1 (0.91) IDH1
SCHEMBL17814197 0.91 IDH1 (1.00) IDH1
SCHEMBL22185487 0.91 IDH1 (1.00) IDH1
SCHEMBL19756920 0.91 IDH1 (1.00) IDH1
SCHEMBL22184870 0.90 IDH1 (1.00) IDH1
SCHEMBL17814069 0.90 IDH1 (1.00) IDH1
SCHEMBL22184633 0.90 IDH1 (0.89) 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 2 patents. 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
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed