SCHEMBL21573380

SCHEMBL21573380

CC(Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 18/20 1.00
▸ IDH2 P48735 4/20 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
SCHEMBL29975911 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL16393305 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL29975706 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL16393255 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL16392941 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL29975425 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL16392772 1.00 IDH1 (1.00) IDH1IDH2
SCHEMBL16393231 0.95 IDH1 (1.00) IDH1IDH2
SCHEMBL21573294 0.95 IDH1 (1.00) IDH1IDH2
SCHEMBL29975789 0.95 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
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