SCHEMBL20036715

SCHEMBL20036715

CCCCc1cc(NC(=O)Nc2ccc(OCc3ccnc(NC(=O)C4CCOCC4)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.63
HCK P08631 16/20 0.63
MAPK12 P53778 16/20 0.63
SRC P12931 3/20 0.61
MAPK13 O15264 2/20 0.51
MAPK11 Q15759 2/20 0.51
TNF P01375 2/20 0.50
CIT O14578 1/20 0.50
MUSK O15146 1/20 0.50
MAP3K7 O43318 1/20 0.50
RIPK2 O43353 1/20 0.50
STK10 O94804 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
RAF1 P04049 1/20 0.50
NTRK1 P04629 1/20 0.50
HSPB1 P04792 1/20 0.50
PRKCB P05771 1/20 0.50

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
SCHEMBL20060666 0.90 MAPK14 (0.60) MAPK14HCKMAPK12SRCMAPK13
SCHEMBL20036763 0.90 MAPK14 (0.67) MAPK14HCKMAPK12SRCMAPK13
SCHEMBL20036766 0.89 MAPK14 (0.79) MAPK14HCKMAPK12SRCMAPK13
SCHEMBL20036756 0.89 MAPK14 (0.58) MAPK14HCKMAPK12SRCMAPK13
SCHEMBL14701111 0.89 MAPK14 (0.77) MAPK14HCKMAPK12SRCTNF
SCHEMBL2408681 0.88 MAPK14 (0.80) MAPK14HCKMAPK12SRCMAPK13
SCHEMBL20036726 0.88 MAPK14 (0.67) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008530 0.87 MAPK14 (0.56) MAPK14HCKMAPK12SRCMAPK13
SCHEMBL20036765 0.87 MAPK14 (0.66) MAPK14HCKMAPK12SRCTNF
SCHEMBL20036739 0.86 MAPK14 (0.78) MAPK14HCKMAPK12SRCGSK3B

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