SCHEMBL7694076

SCHEMBL7694076

CC(C)(C)c1cc(Nc2cnc3cc4ccccc4cc3n2)n(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
BRAF P15056 3/20 0.42
MAPK13 O15264 7/20 0.40
MAPK12 P53778 7/20 0.40
MAPK11 Q15759 7/20 0.40
MAPK9 P45984 3/20 0.39
CDK8 P49336 1/20 0.39
DDR2 Q16832 2/20 0.38
SRC P12931 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
KIT P10721 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL7696555 0.88 MAPK14 (0.46) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL7694596 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7696275 0.79 MAPK14 (0.50) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL7694545 0.78 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7697090 0.78 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL20962200 0.76 MAPK14 (0.59) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL7697641 0.74 AURKA (0.54)
SCHEMBL7691122 0.70 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL1012863 0.70 MAPK14 (0.60) MAPK14BRAFMAPK13MAPK12MAPK11
SCHEMBL13990647 0.70 POLB (0.57) MAPK14NPY5R

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