SCHEMBL16012452

SCHEMBL16012452

CCOc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](C(=O)NCCOC)C4)nc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 11/20 0.61
▸ EIF2AK4 Q9P2K8 8/20 0.55
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47

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
SCHEMBL17446334 1.00 MAPK6 (0.61) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL17446333 0.92 MAPK6 (0.61) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL16012167 0.89 MAPK6 (0.57) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL17446331 0.88 MAPK6 (0.56) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL16012229 0.88 MAPK6 (0.66) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL16022115 0.87 MAPK6 (0.66) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL16012342 0.87 MAPK6 (0.66) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL18813080 0.86 MAPK6 (0.57) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL16022263 0.86 MAPK6 (0.61) MAPK6EIF2AK4GSK3AGSK3B
SCHEMBL18830309 0.86 MAPK6 (0.76) MAPK6EIF2AK4GSK3AGSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964649-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2017-05-10 — — EP disclosed
EP-2964649-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2016-01-13 — — EP disclosed
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
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
Send feedback