SCHEMBL4769167

SCHEMBL4769167

CCOC(=O)n1ncc2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CSNK1A1 P48729 1/20 0.37
GSK3A P49840 1/20 0.37
LIMK1 P53667 1/20 0.37
IKBKE Q14164 1/20 0.37
MAPK14 Q16539 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CDC7 O00311 3/20 0.37

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
SCHEMBL5120623 0.81 HSD17B10 (0.56) ELANETSHRPOLBHSD17B10SLC22A12
SCHEMBL30854946 0.81 EGFR (0.41) ELANEHDAC8CHEK1AURKADAPK3
SCHEMBL4140238 0.79 CHEK1 (0.57) ELANECCNCCDK8HDAC8CHEK1
SCHEMBL30457321 0.77 CHEK1 (0.67) ELANETSHRPOLBHSD17B10MAPT
Hydrochloric Acid SCHEMBL5049276 0.74 TSHR (0.38) TSHRPOLBHSD17B10MAPTHPGD
SCHEMBL9209985 0.74 HSD17B10 (0.43) ELANETSHRPOLBHSD17B10MAPT
SCHEMBL14193258 0.72 ASAH1 (0.53) ELANETSHRPOLBHSD17B10SLC22A12
SCHEMBL4909163 0.70 SLC22A12 (0.49) ELANECCNCCDK8MAPTMAPK14
SCHEMBL30786241 0.70 ASAH1 (0.57) ELANETSHRPOLBHSD17B10MAPT
SCHEMBL20028166 0.69 NPC1 (0.40) ELANECCNCCDK8HSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968976-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-17 EP disclosed
WO-2007068619-A1 SUBSTITUTED PYRAZOLO [4,3-C] PYRIDINE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed