SCHEMBL17008643

SCHEMBL17008643

CCCCc1cc(NC(=O)Nc2ccc(OCc3ccnc(Nc4cncc(CCOC)n4)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.58
MAPK12 P53778 17/20 0.58
HCK P08631 16/20 0.58
SRC P12931 2/20 0.58
TNF P01375 1/20 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
SCHEMBL18593702 0.94 MAPK14 (0.62) MAPK14MAPK12HCKSRCTNF
SCHEMBL17008551 0.94 MAPK14 (0.58) MAPK14MAPK12HCKSRCTNF
SCHEMBL17008558 0.92 MAPK14 (0.57) MAPK14MAPK12HCKSRCTNF
SCHEMBL17008488 0.91 MAPK14 (0.57) MAPK14MAPK12HCKSRCTNF
SCHEMBL17008537 0.91 MAPK14 (0.56) MAPK14MAPK12HCKSRCTNF
SCHEMBL17017176 0.90 MAPK14 (0.72) MAPK14MAPK12HCKSRCTNF
SCHEMBL17008592 0.90 MAPK14 (0.55) MAPK14MAPK12HCKSRCTNF
SCHEMBL20106556 0.90 MAPK14 (0.62) MAPK14MAPK12HCKSRCTNF
SCHEMBL17008532 0.90 MAPK14 (0.55) MAPK14MAPK12HCKSRCTNF
SCHEMBL17017208 0.89 MAPK14 (0.70) MAPK14MAPK12HCKSRCTNF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105223-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS Respivert Limited (GB) 2016-12-21 EP claimed
WO-2015121660-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-08-20 WO claimed
EP-3105223-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS Respivert Limited (GB) 2016-12-21 EP disclosed
WO-2015121660-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-08-20 WO disclosed