SCHEMBL7692071

SCHEMBL7692071

COc1ccc(-n2nc(C(C)(C)C)cc2Nc2nc3cc4ccccc4cc3nc2NCCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.49
MAPK13 O15264 4/20 0.49
MAPK12 P53778 4/20 0.49
MAPK11 Q15759 4/20 0.49
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
MERTK Q12866 2/20 0.43
CDK8 P49336 4/20 0.42
LIMK1 P53667 1/20 0.42
RAD52 P43351 2/20 0.41
MAPK9 P45984 3/20 0.41
GSK3A P49840 1/20 0.41
JAK2 O60674 1/20 0.40
PKN2 Q16513 1/20 0.40
CSNK1A1 P48729 1/20 0.40

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
SCHEMBL7693916 0.94 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7700746 0.92 JAK2 (0.48) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL7697558 0.87 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7697247 0.85 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7692769 0.85 KDM4E (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7693923 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7696568 0.79 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7691825 0.78 JAK2 (0.46) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7691063 0.76 SOD1 (0.50) MAPK14MAPK13MAPK12MAPK11GSK3A
SCHEMBL7696799 0.75 JAK2 (0.45) 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 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