SCHEMBL20036740

SCHEMBL20036740

CCCCc1cc(NC(=O)Nc2ccc(OCc3ccncc3NC(=O)NC)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.61
MAPK12 P53778 17/20 0.61
HCK P08631 15/20 0.61
TNF P01375 2/20 0.55
SRC P12931 3/20 0.51

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 0.89 MAPK14 (0.65) MAPK14MAPK12HCKTNFSRC
SCHEMBL12277563 0.87 MAPK14 (0.77) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036728 0.86 MAPK14 (0.80) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036729 0.82 MAPK14 (0.79) MAPK14MAPK12HCKTNFSRC
SCHEMBL20060696 0.82 MAPK14 (0.65) MAPK14MAPK12HCKSRC
SCHEMBL20106556 0.82 MAPK14 (0.62) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036719 0.82 MAPK14 (0.56) MAPK14MAPK12HCKTNFSRC
SCHEMBL19841213 0.82 MAPK14 (0.68) MAPK14MAPK12HCKTNFSRC
SCHEMBL20060621 0.82 GSK3A (0.64) MAPK14MAPK12HCKSRC
SCHEMBL13563500 0.81 MAPK12 (0.75) 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