SCHEMBL21573412

SCHEMBL21573412

CCNc1nc(NC(C)C(F)(F)F)nc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 18/20 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
SCHEMBL16393283 0.91 IDH1 (0.79) IDH1IDH2
SCHEMBL16393075 0.91 IDH1 (0.79) IDH1IDH2
SCHEMBL21573335 0.89 IDH1 (0.65) IDH1IDH2
SCHEMBL17971618 0.88 IDH1 (0.87) IDH1IDH2
SCHEMBL18557108 0.88 IDH1 (0.87) IDH1IDH2
SCHEMBL21573547 0.86 IDH1 (0.83) IDH1IDH2
SCHEMBL29599204 0.86 IDH1 (0.83) IDH1IDH2
SCHEMBL21573377 0.86 IDH1 (0.83) IDH1IDH2
SCHEMBL18557071 0.84 IDH2 (0.71) IDH1IDH2
SCHEMBL21573329 0.83 IDH1 (0.52) 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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