SCHEMBL16022063

SCHEMBL16022063

OC[C@@H]1CC[C@@H](Nc2ncc3nnn(-c4ccc(I)cc4)c3n2)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 12/20 0.68
▸ GSK3A P49840 7/20 0.58
▸ GSK3B P49841 7/20 0.58
▸ AURKA O14965 4/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.39

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
SCHEMBL18830134 0.87 MAPK6 (0.89) MAPK6GSK3AGSK3BAURKAEIF2AK4
SCHEMBL16012179 0.87 MAPK6 (0.89) MAPK6GSK3AGSK3BAURKAEIF2AK4
SCHEMBL16012470 0.87 MAPK6 (0.89) MAPK6GSK3AGSK3BAURKAEIF2AK4
SCHEMBL16022034 0.87 MAPK6 (0.89) MAPK6GSK3AGSK3BAURKAEIF2AK4
SCHEMBL16012747 0.87 GSK3A (0.70) MAPK6GSK3AGSK3BAURKA
SCHEMBL16015003 0.87 GSK3A (0.70) MAPK6GSK3AGSK3BAURKA
SCHEMBL16015002 0.87 GSK3A (0.70) MAPK6GSK3AGSK3BAURKA
SCHEMBL16012190 0.84 MAPK6 (0.61) MAPK6GSK3AGSK3BAURKAEIF2AK4
SCHEMBL16012757 0.84 MAPK6 (0.61) MAPK6GSK3AGSK3BAURKAEIF2AK4
SCHEMBL16012433 0.83 MAPK6 (0.70) MAPK6GSK3AGSK3BAURKAEIF2AK4

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-2014135244-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2014-09-12 — — WO disclosed
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