SCHEMBL7697564

SCHEMBL7697564

CC(C)CCNc1nc2cc3ccccc3cc2nc1Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.41
NTRK1 P04629 1/20 0.39
JAK2 O60674 1/20 0.38
MAPK13 O15264 6/20 0.37
GAA P10253 1/20 0.37
MAPK12 P53778 5/20 0.37
MAPK11 Q15759 5/20 0.37
MAPK9 P45984 4/20 0.36
CDK8 P49336 2/20 0.36
JAK3 P52333 1/20 0.36
SRC P12931 1/20 0.36
DDR2 Q16832 1/20 0.36
PKN2 Q16513 1/20 0.36

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
SCHEMBL7691825 0.91 JAK2 (0.46) MAPK14NTRK1JAK2MAPK13GAA
SCHEMBL7700675 0.88 MAPK14 (0.43) MAPK14NTRK1JAK2MAPK13MAPK12
SCHEMBL7693923 0.88 MAPK14 (0.45) MAPK14NTRK1JAK2MAPK13MAPK12
SCHEMBL7697558 0.85 MAPK14 (0.47) MAPK14NTRK1JAK2MAPK13GAA
SCHEMBL7697861 0.84 MAPK14 (0.47) MAPK14NTRK1JAK2MAPK13MAPK12
SCHEMBL7696568 0.84 MAPK14 (0.41) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL7690441 0.83 MAPK14 (0.47) MAPK14NTRK1MAPK13MAPK12MAPK11
SCHEMBL7691122 0.82 MAPK14 (0.50) MAPK14JAK2MAPK13GAAMAPK12
SCHEMBL7695893 0.82 SOD1 (0.46) MAPK14
SCHEMBL7694572 0.82 MAPT (0.39) MAPK14NTRK1JAK2MAPK13GAA

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