SCHEMBL16022083

SCHEMBL16022083

CCOCCOc1ccc2cc(-n3nnc4cnc(N[C@@H]5CC[C@@H](CN)C5)nc43)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 12/20 0.56
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ EIF2AK4 Q9P2K8 7/20 0.37

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
SCHEMBL18830258 0.89 MAPK6 (0.66) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012741 0.88 MAPK6 (0.57) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL17435351 0.87 MAPK6 (0.50) MAPK6GSK3AGSK3BEIF2AK4
Carbamic Acid SCHEMBL18813127 0.85 MAPK6 (0.51) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012546 0.78 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830294 0.78 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830502 0.77 MAPK6 (0.53) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012360 0.76 MAPK6 (0.68) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830261 0.75 MAPK6 (0.56) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012897 0.74 MAPK6 (0.70) MAPK6GSK3AGSK3BEIF2AK4

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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