SCHEMBL7696555

SCHEMBL7696555

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.46
MAPK13 O15264 7/20 0.42
MAPK12 P53778 6/20 0.41
MAPK11 Q15759 6/20 0.41
KIT P10721 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
MAPK9 P45984 3/20 0.40
BRAF P15056 2/20 0.40
CDK8 P49336 1/20 0.40
SRC P12931 1/20 0.39
DDR2 Q16832 1/20 0.39

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
SCHEMBL7694076 0.88 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11KIT
SCHEMBL7694596 0.84 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11KIT
SCHEMBL7691122 0.82 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7696275 0.80 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7694545 0.79 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KIT
SCHEMBL7697090 0.79 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL7700675 0.76 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7697564 0.76 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7693923 0.76 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NTRK1
SCHEMBL7690441 0.76 MAPK14 (0.47) 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