SCHEMBL15720178

SCHEMBL15720178

Cc1ccc(-n2nc(C(C)C)cc2NC(N)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.67
KCNJ6 P48051 5/20 0.64
KCNJ5 P48544 5/20 0.64
KCNJ3 P48549 5/20 0.64
MAPK14 Q16539 6/20 0.55
MAPK12 P53778 4/20 0.55
MAPK13 O15264 3/20 0.55
MAPK11 Q15759 3/20 0.55
NR3C2 P08235 1/20 0.44
DDR2 Q16832 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
GRM5 P41594 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
NTRK1 P04629 1/20 0.43
PTK2 Q05397 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL15484911 0.89 KCNJ6 (0.70) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL30010428 0.87 MAPK14 (0.71) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL19303194 0.81 CDK8 (1.00) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL15517839 0.81 CDK8 (0.67) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL15490413 0.79 KCNJ6 (0.65) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL13558462 0.78 KCNJ6 (0.57) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL27780133 0.77 ABL1 (0.48) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL2927100 0.76 MAPK13 (0.51) CDK8KCNJ6KCNJ5KCNJ3MAPK14
SCHEMBL21436480 0.76 CDK8 (0.79) CDK8MAPK14MAPK12MAPK13MAPK11
SCHEMBL4464188 0.74 CDK8 (0.58) CDK8KCNJ6KCNJ5KCNJ3MAPK14

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-2925742-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-10-07 EP claimed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 WO claimed
EP-2925742-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-10-07 EP disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 WO disclosed