SCHEMBL5759032

SCHEMBL5759032

O=[N+]([O-])c1ccccc1Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.50
PIK3CA P42336 9/20 0.50
MAPK8 P45983 7/20 0.50
MAPK9 P45984 7/20 0.50
MAPK10 P53779 7/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCHE P06276 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6765225 0.91 ABCG2 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6767217 0.82 MAPK1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755819 0.81 MAPK1 (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757643 0.81 MAPK1 (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755816 0.81 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757835 0.81 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757398 0.81 PIK3CA (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758759 0.79 BCHE (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758100 0.78 MAPK1 (0.49) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4697024 0.78 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028729-B1 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ZENTARIS GMBH (DE) 2006-08-16 EP disclosed
US-6727252-B1 THE SERINE/THREONINE KINASE FAMILY INCLUDES MEMBERS THAT REGULATE CELL GROWTH, MIGRATION, DIFFERENTIATION, GENE EXPRESSION, MUSCLE CONTRACTION, GLUCOSE METABOLISM, CELLULAR PROTEIN SYNTHESIS, AND REGULATION OF THE CELL CYCLE ZENTARIS AG (DE) 2004-04-27 US disclosed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-1028729-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA Medica Aktiengesellschaft (DE) 2000-08-23 EP disclosed
WO-1999017759-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed