SCHEMBL18830364

SCHEMBL18830364

COc1ccc2cc(-n3nnc4cnc(NC5CC[C@@H](COCN)C5)nc43)cnc2c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 12/20 0.63
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ EIF2AK4 Q9P2K8 2/20 0.41
▸ HPGDS O60760 3/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL16012730 0.83 MAPK6 (0.74) MAPK6GSK3AGSK3BEIF2AK4HPGDS
SCHEMBL18830294 0.81 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012546 0.81 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830228 0.81 MAPK6 (0.61) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830211 0.80 MAPK6 (0.60) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830258 0.78 MAPK6 (0.66) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012179 0.78 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012470 0.78 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL18830134 0.78 MAPK6 (0.89) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16022034 0.78 MAPK6 (0.89) 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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