SCHEMBL18830654

SCHEMBL18830654

COCCn1cc(-c2ccc(-n3nnc4cnc(NC5CC[C@@H](C(N)=O)C5)nc43)cn2)cn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK6 Q16659 10/20 0.58
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ EIF2AK4 Q9P2K8 7/20 0.39
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ SYK P43405 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
SCHEMBL16022071 1.00 MAPK6 (0.58) MAPK6GSK3AGSK3BEIF2AK4PIK3CA
SCHEMBL16012456 0.93 MAPK6 (0.54) MAPK6GSK3AGSK3BEIF2AK4PIK3CA
SCHEMBL16012670 0.93 MAPK6 (0.63) MAPK6GSK3AGSK3BEIF2AK4
Carbamic Acid SCHEMBL18813144 0.90 MAPK6 (0.51) MAPK6GSK3AGSK3BEIF2AK4SYK
SCHEMBL17435262 0.90 GSK3A (0.49) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012612 0.90 GSK3A (0.49) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL17435263 0.90 GSK3A (0.49) MAPK6GSK3AGSK3BEIF2AK4
SCHEMBL16012559 0.89 MAPK6 (0.61) MAPK6GSK3AGSK3BEIF2AK4SYK
SCHEMBL16012716 0.88 MAPK6 (0.56) MAPK6GSK3AGSK3BEIF2AK4SYK
SCHEMBL16012971 0.88 MAPK6 (0.55) 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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