SCHEMBL20060661

SCHEMBL20060661

COCC(=O)NCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.78
MAPK12 P53778 15/20 0.78
HCK P08631 13/20 0.78
SRC P12931 7/20 0.78
GSK3A P49840 4/20 0.78
SYK P43405 4/20 0.78
GSK3B P49841 1/20 0.78
BRAF P15056 1/20 0.52

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
SCHEMBL14701833 0.96 MAPK14 (0.85) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL12542400 0.92 MAPK12 (0.92) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060669 0.90 MAPK12 (0.66) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20386609 0.89 MAPK14 (0.84) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL1292838 0.88 SRC (0.83) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060634 0.88 MAPK14 (0.67) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060620 0.88 MAPK14 (0.67) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL1292878 0.88 MAPK14 (0.84) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL2531614 0.88 MAPK12 (1.00) MAPK14MAPK12HCKSRCGSK3A
SCHEMBL20060710 0.87 MAPK14 (0.81) MAPK14MAPK12HCKSRCGSK3A

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