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Sugi Predict / Compounds / SCHEMBL28451697

SCHEMBL28451697

SCHEMBL28451697

OC1CCCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cccc(C(F)(F)F)c3)n2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 17/20 1.00
▸ MAPT P10636 1/20 0.69
▸ APP P05067 1/20 0.59
▸ USP2 O75604 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL28451696 1.00 IDH2 (1.00) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL30568801 1.00 IDH2 (1.00) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL30568829 1.00 IDH2 (1.00) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL28460673 1.00 IDH2 (1.00) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL30568818 1.00 IDH2 (1.00) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL28460727 0.98 IDH2 (0.96) IDH2MAPTAPPUSP2SMN1; SMN2
SCHEMBL28450649 0.93 IDH2 (1.00) IDH2MAPTAPP
SCHEMBL30568844 0.93 IDH2 (1.00) IDH2MAPTAPP
SCHEMBL30568821 0.93 IDH2 (1.00) IDH2MAPTAPP
SCHEMBL28450644 0.93 IDH2 (1.00) IDH2MAPTAPP

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
CN-111662242-B Heterocyclic IDH mutant inhibitor, preparation method and application thereof 中国药科大学 2023-10-24 — — CN disclosed
CN-111662242-A Heterocyclic IDH mutant inhibitor, preparation method and application thereof 中国药科大学 2020-09-15 — — CN disclosed