SCHEMBL18813417

SCHEMBL18813417

CC(C)(O)CCNC(=O)O.Cc1ccc2cc(-n3nnc4cnc(NC5CCCC5)nc43)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ MAPK6 Q16659 10/20 0.45
▸ EIF2AK4 Q9P2K8 6/20 0.38
▸ MAPK8 P45983 2/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ MAPK10 P53779 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CCND1 P24385 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK6 Q00534 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
SCHEMBL18813076 0.91 MAPK6 (0.49) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL18813096 0.89 MAPK6 (0.49) GSK3AGSK3BMAPK6EIF2AK4
SCHEMBL16022236 0.88 EIF2AK4 (0.49) GSK3AGSK3BMAPK6EIF2AK4
Carbamic Acid SCHEMBL18813041 0.87 MAPK6 (0.56) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL18813078 0.87 GSK3A (0.44) GSK3AGSK3BMAPK6EIF2AK4
Carbamic Acid SCHEMBL18813046 0.86 MAPK6 (0.55) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL18830045 0.86 MAPK6 (0.54) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL18830178 0.85 MAPK6 (0.53) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL18813063 0.85 MAPK6 (0.54) GSK3AGSK3BMAPK6EIF2AK4MAPK8
SCHEMBL18813039 0.84 MAPK6 (0.46) GSK3AGSK3BMAPK6EIF2AK4MAPK8

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 claimed
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