SCHEMBL18830258

SCHEMBL18830258

COc1ccc2cc(-n3nnc4cnc(N[C@@H]5CC[C@@H](CN)C5)nc43)ccc2n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 12/20 0.66
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ EIF2AK4 Q9P2K8 7/20 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
SCHEMBL16022083 0.89 MAPK6 (0.56) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012360 0.86 MAPK6 (0.68) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830261 0.85 MAPK6 (0.56) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830294 0.85 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012546 0.85 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
Carbamic Acid SCHEMBL18813043 0.82 MAPK6 (0.60) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16022059 0.80 MAPK6 (1.00) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012361 0.80 MAPK6 (1.00) MAPK6GSK3AGSK3BEIF2AK4
Hydrochloric Acid SCHEMBL17435244 0.79 MAPK6 (0.98) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830364 0.78 MAPK6 (0.63) 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
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
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