SCHEMBL20060700

SCHEMBL20060700

CCCCc1cc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)NCCN4CCOCC4)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.64
SYK P43405 15/20 0.64
GSK3A P49840 15/20 0.64
SRC P12931 15/20 0.64
MAPK12 P53778 4/20 0.57
MAPK13 O15264 2/20 0.57
MAPK11 Q15759 2/20 0.57
HCK P08631 2/20 0.56
GSK3B P49841 2/20 0.56
CIT O14578 1/20 0.56
MUSK O15146 1/20 0.56
MAP3K7 O43318 1/20 0.56
RIPK2 O43353 1/20 0.56
STK10 O94804 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
TNF P01375 1/20 0.56
RAF1 P04049 1/20 0.56

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
SCHEMBL20060612 0.96 MAPK14 (0.59) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL20060670 0.91 MAPK14 (0.65) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL20060675 0.90 MAPK14 (0.57) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL20060663 0.90 MAPK14 (0.60) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL1292752 0.89 MAPK14 (0.78) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL19102031 0.89 SYK (0.82) MAPK14SYKGSK3ASRC
SCHEMBL20060597 0.88 MAPK14 (0.63) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL20060665 0.87 MAPK14 (0.65) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL20060666 0.87 MAPK14 (0.60) MAPK14SYKGSK3ASRCMAPK12
SCHEMBL20060696 0.87 MAPK14 (0.65) MAPK14SYKGSK3ASRCMAPK12

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-2582433-B1 UREIDO-PYRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF RHINOVIRUS INFECTIONS RESPIVERT LTD (GB) 2018-04-18 EP disclosed