SCHEMBL20036728

SCHEMBL20036728

CCCCc1cc(NC(=O)Nc2ccc(OCCc3ccncc3NC(=O)COC)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.80
MAPK12 P53778 15/20 0.80
HCK P08631 14/20 0.80
TNF P01375 2/20 0.57
SRC P12931 2/20 0.54
SYK P43405 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL20036761 0.90 MAPK14 (0.65) MAPK14MAPK12HCKTNFSRC
SCHEMBL12540993 0.89 MAPK14 (1.00) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036740 0.86 MAPK14 (0.61) MAPK14MAPK12HCKTNFSRC
SCHEMBL2411587 0.84 MAPK14 (0.90) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036739 0.83 MAPK14 (0.78) MAPK14MAPK12HCKSRCSYK
SCHEMBL19388864 0.82 MAPK14 (0.78) MAPK14MAPK12HCKSRCSYK
SCHEMBL20036744 0.82 MAPK14 (0.69) MAPK14MAPK12HCKSRCSYK
SCHEMBL2405828 0.82 MAPK14 (0.87) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036733 0.81 MAPK14 (0.72) MAPK14MAPK12HCKTNFSRC
SCHEMBL12287020 0.79 MAPK14 (0.78) MAPK14MAPK12HCKTNFSRC

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-2509595-B1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD (GB) 2018-04-11 EP disclosed