SCHEMBL7694596

SCHEMBL7694596

CC(C)(C)c1cc(Nc2cnc3cc4ccccc4cc3n2)n(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.56
DDR2 Q16832 3/20 0.56
ABL1 P00519 3/20 0.51
KIT P10721 3/20 0.51
MAPK9 P45984 3/20 0.41
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
CDK8 P49336 1/20 0.39
SRC P12931 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
SCHEMBL7694545 0.91 MAPK14 (0.48) MAPK14DDR2ABL1KITMAPK9
SCHEMBL7696555 0.84 MAPK14 (0.46) MAPK14DDR2KITMAPK9MAPK13
SCHEMBL7699510 0.83 MAPK14 (0.56) MAPK14DDR2ABL1KITMAPK9
SCHEMBL7694076 0.82 MAPK14 (0.47) MAPK14DDR2KITMAPK9MAPK13
SCHEMBL7696275 0.76 MAPK14 (0.50) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL7697090 0.75 MAPK14 (0.38) MAPK14DDR2ABL1MAPK13MAPK12
SCHEMBL12245428 0.72 MAPK14 (1.00) MAPK14DDR2ABL1KITMAPK9
SCHEMBL12245436 0.72 MAPK14 (1.00) MAPK14DDR2ABL1KITMAPK13
SCHEMBL3171750 0.71 MAPK14 (0.58) MAPK14DDR2ABL1KIT
Hydrochloric Acid SCHEMBL5065306 0.70 MAPK14 (0.57) MAPK14DDR2ABL1KIT

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