SCHEMBL7690441

SCHEMBL7690441

CC(C)(C)c1cc(Nc2nc3cc4ccccc4cc3nc2NCc2ccncc2)n(-c2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.47
MAPK13 O15264 4/20 0.47
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
CDK2 P24941 1/20 0.38
MAPK9 P45984 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK8 P49336 1/20 0.37
PGK1 P00558 1/20 0.37
NTRK1 P04629 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
SCHEMBL7691048 0.91 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL7700675 0.85 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7694525 0.84 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7693923 0.83 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7697564 0.83 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7696568 0.81 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7691122 0.81 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7695893 0.81 SOD1 (0.46) MAPK14SMN1; SMN2
SCHEMBL7697861 0.80 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TRPV1
SCHEMBL7696758 0.78 TP53 (0.40) MAPK14NTRK1

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