SCHEMBL7700746

SCHEMBL7700746

CC(C)(C)c1cc(Nc2nc3cc4ccccc4cc3nc2NCCCO)n(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
MAPK14 Q16539 14/20 0.47
MAPK13 O15264 11/20 0.47
MAPK12 P53778 11/20 0.47
MAPK11 Q15759 11/20 0.47
CDK8 P49336 2/20 0.45
PKN2 Q16513 2/20 0.45
MAPK9 P45984 1/20 0.45
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7692071 0.92 MAPK14 (0.49) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7693923 0.91 MAPK14 (0.45) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7691825 0.86 JAK2 (0.46) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7693916 0.85 MAPK14 (0.51) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7691063 0.84 SOD1 (0.50) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7696799 0.83 JAK2 (0.45) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7697247 0.82 MAPK14 (0.48) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7695414 0.79 MAPK13 (0.42) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7697558 0.78 MAPK14 (0.47) JAK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7697564 0.78 MAPK14 (0.41) JAK2MAPK14MAPK13MAPK12MAPK11

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
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed