SCHEMBL27615012

SCHEMBL27615012

CCS(=O)(=O)OCCCNc1ncc(C(=O)c2ccccc2C)s1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL27614981 0.91 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27614995 0.89 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27614966 0.85 GCGR (0.39) MAPK14
SCHEMBL27614917 0.85 F2 (0.37) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27596142 0.84 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27614961 0.84 LCK (0.37) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5564741 0.84 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14421687 0.83 NPY5R (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14421713 0.82 NPY5R (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27596205 0.82 MAPK14 (0.43) MAPK14CCNB2CCNE2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100363362-C Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2008-01-23 CN disclosed
CN-1639158-A Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed