SCHEMBL17814068

SCHEMBL17814068

CO[C@H]1CC[C@H](C(=O)N2Cc3cccnc3N(O[C@H]3CC[C@H](C(=O)N4Cc5cccnc5Nc5ccc(N6CC7CC6CO7)cc54)CC3)c3ccc(N4CCC(F)(F)CC4)cc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.75

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
SCHEMBL19741887 0.87 IDH1 (1.00) IDH1
SCHEMBL17814487 0.87 IDH1 (1.00) IDH1
SCHEMBL19741854 0.84 IDH1 (1.00) IDH1
SCHEMBL17814509 0.84 IDH1 (0.77) IDH1
SCHEMBL17814446 0.83 IDH1 (0.78) IDH1
SCHEMBL17814636 0.82 IDH1 (0.77) IDH1
SCHEMBL17814463 0.81 IDH1 (1.00) IDH1
SCHEMBL17814454 0.81 IDH1 (1.00) IDH1
SCHEMBL21466836 0.81 IDH1 (1.00) IDH1
SCHEMBL17814070 0.80 IDH1 (0.78) 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
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed