SCHEMBL21573293

SCHEMBL21573293

CC(C)CCc1cc(NC2CCC(F)(F)CC2)nc(-c2cccc(Cl)n2)n1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.67
IDH2 P48735 6/20 0.60

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
SCHEMBL17971614 0.83 IDH1 (0.81) IDH1IDH2
SCHEMBL19686326 0.83 IDH1 (0.71) IDH1IDH2
SCHEMBL21573359 0.82 IDH1 (0.72) IDH1IDH2
SCHEMBL29975710 0.80 IDH1 (1.00) IDH1IDH2
SCHEMBL19687376 0.80 IDH1 (1.00) IDH1IDH2
SCHEMBL16392878 0.80 IDH1 (1.00) IDH1IDH2
SCHEMBL31127265 0.77 IDH1 (0.67) IDH1IDH2
SCHEMBL21144441 0.77 IDH1 (0.67) IDH1IDH2
SCHEMBL16392851 0.76 IDH1 (1.00) IDH1IDH2
SCHEMBL29976428 0.76 IDH1 (1.00) IDH1IDH2

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-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 EP disclosed