SCHEMBL7694545

SCHEMBL7694545

CC(C)(C)c1cc(Nc2cnc3cc4ccccc4cc3n2)n(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DDR2 Q16832 3/20 0.45
MAPT P10636 2/20 0.42
ABL1 P00519 3/20 0.41
KIT P10721 3/20 0.41
MAPK13 O15264 5/20 0.41
MAPK12 P53778 5/20 0.41
MAPK11 Q15759 5/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL7694596 0.91 MAPK14 (0.56) MAPK14DDR2ABL1KITMAPK13
SCHEMBL7696555 0.79 MAPK14 (0.46) MAPK14DDR2KITMAPK13MAPK12
SCHEMBL7696275 0.78 MAPK14 (0.50) MAPK14LMNADDR2MAPTMAPK13
SCHEMBL7694076 0.78 MAPK14 (0.47) MAPK14DDR2KITMAPK13MAPK12
SCHEMBL7697090 0.77 MAPK14 (0.38) MAPK14DDR2ABL1MAPK13MAPK12
SCHEMBL7699510 0.74 MAPK14 (0.56) MAPK14LMNASMN1; SMN2DDR2MAPT
SCHEMBL13678585 0.69 MAPK14 (0.61) MAPK14SMN1; SMN2DDR2MAPK13MAPK12
SCHEMBL5733636 0.69 MAPK14 (0.81) MAPK14DDR2ABL1KITMAPK13
SCHEMBL1410098 0.68 NPY5R (0.52) MAPK14LMNASMN1; SMN2MAPT
SCHEMBL17122413 0.68 ABL1 (0.74) MAPK14DDR2ABL1KITMAPK13

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