SCHEMBL17008554

SCHEMBL17008554

CCCCc1cc(NC(=O)Nc2ccc(OCc3ccnc(Nc4cnc(C(=O)N5CCN(C)CC5)cn4)c3)c3ccccc23)n(-c2ccc(C)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.55
HCK P08631 16/20 0.55
MAPK12 P53778 15/20 0.55
SRC P12931 3/20 0.55
TNF P01375 1/20 0.47
SYK P43405 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL17008535 0.98 MAPK14 (0.53) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008545 0.93 MAPK14 (0.54) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008536 0.93 MAPK14 (0.54) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008781 0.93 MAPK14 (0.54) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008502 0.92 MAPK14 (0.57) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008548 0.91 MAPK14 (0.46) MAPK14HCKMAPK12SRCSYK
SCHEMBL17008555 0.91 MAPK14 (0.52) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008515 0.91 MAPK14 (0.53) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008559 0.91 MAPK14 (0.53) MAPK14HCKMAPK12SRCTNF
SCHEMBL17008571 0.91 MAPK14 (0.54) MAPK14HCKMAPK12SRCTNF

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