SCHEMBL7697591

SCHEMBL7697591

CC(C)(C)c1cc(Nc2nc3cc4ccccc4cc3nc2N(CCO)CCO)n(-c2cccc(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.43
CDK8 P49336 8/20 0.41
RET P07949 4/20 0.41
PDGFRA P16234 3/20 0.41
TAOK1 Q7L7X3 1/20 0.41
MAP4K5 Q9Y4K4 2/20 0.39
PAK4 O96013 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPK13 O15264 5/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 0.38
NTRK1 P04629 1/20 0.38
MAPK9 P45984 5/20 0.38
PKN2 Q16513 1/20 0.38
BRAF P15056 1/20 0.38
PRKD3 O94806 1/20 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
SCHEMBL7693923 0.83 MAPK14 (0.45) MAPK14CDK8RETPDGFRAMAPK13
SCHEMBL7691122 0.81 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7700675 0.78 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7697564 0.78 MAPK14 (0.41) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL7690441 0.77 MAPK14 (0.47) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL7696555 0.76 MAPK14 (0.46) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL7694525 0.75 MAPK14 (0.39) MAPK14CDK8MAPK13MAPK12MAPK11
SCHEMBL7691048 0.75 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7697861 0.75 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7696568 0.75 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NTRK1

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