SCHEMBL13771371

SCHEMBL13771371

Oc1nc(NCc2ccc3[nH]ccc3c2)nc(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 14/20 0.54
▸ SLC2A1 P11166 1/20 0.45
▸ APP P05067 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL1391849 0.87 IDH2 (0.48) IDH2SLC2A1APPLMNAMAPT
SCHEMBL1392072 0.82 IDH2 (0.62) IDH2SLC2A1APPLMNAMAPT
SCHEMBL10244885 0.81 IDH2 (0.46) IDH2SLC2A1LMNAMAPTMAPK1
SCHEMBL10244123 0.76 APP (0.67) IDH2SLC2A1APPLMNAMAPT
SCHEMBL10245089 0.76 APP (0.67) IDH2SLC2A1APPLMNAMAPT
SCHEMBL10244162 0.75 APP (0.62) IDH2SLC2A1APPLMNAMAPT
SCHEMBL10245074 0.73 KCNH3 (0.67) IDH2SLC2A1APPLMNAMAPT
SCHEMBL13771742 0.72 IDH2 (0.71) IDH2SLC2A1APPLMNAMAPT
SCHEMBL1390920 0.72 APP (0.61) IDH2SLC2A1APPLMNAMAPT
SCHEMBL1391225 0.72 LMNA (0.57) IDH2SLC2A1APPLMNAMAPT

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
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 — — WO disclosed
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