SCHEMBL20036713

SCHEMBL20036713

CCCCc1cc(NC(=O)Nc2ccc(OC(C)(C)c3ccnc(N)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.61
MAPK12 P53778 14/20 0.61
HCK P08631 11/20 0.61
TNF P01375 2/20 0.53
SRC P12931 4/20 0.51
SYK P43405 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 1/20 0.50
BRAF P15056 2/20 0.49

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
SCHEMBL2534207 0.88 MAPK14 (0.75) MAPK14MAPK12HCKTNFSRC
SCHEMBL14701082 0.87 MAPK14 (0.60) MAPK14MAPK12HCKTNFSRC
SCHEMBL19841213 0.86 MAPK14 (0.68) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036719 0.82 MAPK14 (0.56) MAPK14MAPK12HCKTNFSRC
SCHEMBL20036744 0.81 MAPK14 (0.69) MAPK14MAPK12HCKSRCSYK
SCHEMBL2532803 0.80 MAPK14 (0.76) MAPK14MAPK12HCKTNFSRC
SCHEMBL19102004 0.80 MAPK14 (0.61) MAPK14MAPK12HCKSRCSYK
SCHEMBL20060691 0.79 MAPK14 (0.65) MAPK14MAPK12HCKSRCSYK
SCHEMBL20060621 0.79 GSK3A (0.64) MAPK14MAPK12HCKSRCSYK
SCHEMBL12288114 0.79 MAPK14 (0.75) MAPK14MAPK12HCKSRCSYK

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