SCHEMBL20018045

SCHEMBL20018045

CSc1cc(F)cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(C)(F)F)n3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 19/20 0.66
▸ IDH2 P48735 4/20 0.57

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
SCHEMBL20018036 0.94 IDH1 (0.75) IDH1IDH2
SCHEMBL29763471 0.92 IDH1 (0.71) IDH1IDH2
SCHEMBL15102502 0.92 IDH1 (0.71) IDH1IDH2
SCHEMBL21982017 0.88 IDH1 (0.58) IDH1IDH2
SCHEMBL15102498 0.85 IDH1 (0.63) IDH1IDH2
SCHEMBL29763262 0.85 IDH1 (0.63) IDH1IDH2
SCHEMBL15102473 0.84 IDH1 (0.82) IDH1IDH2
SCHEMBL29763426 0.84 IDH1 (0.82) IDH1IDH2
SCHEMBL24342468 0.83 IDH1 (0.72) IDH1IDH2
SCHEMBL29763382 0.81 IDH1 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3984997-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier SAS (FR) 2022-04-20 — — EP disclosed
EP-2800743-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-04-04 — — EP disclosed
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