SCHEMBL24022756

SCHEMBL24022756

CNC(=O)c1ccc(-c2nncnn2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ MET P08581 6/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ HDAC4 P56524 3/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ PDE2A O00408 4/20 0.38
▸ PDE10A Q9Y233 4/20 0.38

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
SCHEMBL24022801 0.84 PLK1 (0.39) METHDAC6
SCHEMBL22147523 0.83 FAAH (0.40) HDAC4HDAC6ALOX5APFEN1
SCHEMBL24022799 0.82 TP53 (0.36) GAAMETPIK3CAMTORHDAC6
SCHEMBL22043784 0.82 NPC1 (0.43) GAA
SCHEMBL15662716 0.81 RARB (0.44) —
SCHEMBL22043758 0.80 DGAT1 (0.49) MAPK1ALOX5APFEN1PDE2APDE10A
SCHEMBL24333878 0.77 ALOX5AP (0.40) GAAMTORALOX5APFEN1PDE10A
SCHEMBL22044463 0.76 MIF (0.37) HDAC4HDAC6
SCHEMBL24334466 0.76 PLK1 (0.53) HDAC4HDAC6
SCHEMBL15074690 0.75 GAA (0.61) GAAMETMAPK1ALOX5APFEN1

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
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
EP-3909944-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY Rigshospitalet (DK) 2021-11-17 — — EP disclosed
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