SCHEMBL5757835

SCHEMBL5757835

O=C(O)c1ccccc1Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.54
MAPK8 P45983 10/20 0.54
PIK3CA P42336 8/20 0.54
MAPK9 P45984 7/20 0.54
MAPK10 P53779 6/20 0.54
AURKA O14965 5/20 0.52
AURKB Q96GD4 2/20 0.52
MAPK14 Q16539 1/20 0.47
BCHE P06276 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLK4 O00444 1/20 0.44
CHEK1 O14757 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44

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
SCHEMBL5760459 0.93 MAPK8 (0.54) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL5755816 0.83 MAPK1 (0.55) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL5755819 0.83 MAPK1 (0.52) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL5757643 0.83 MAPK1 (0.52) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL4697024 0.82 MAPK1 (0.56) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL5757789 0.82 MAPK1 (0.54) MAPK1MAPK8PIK3CAMAPK9MAPK10
Hydrochloric Acid SCHEMBL5623610 0.81 MAPK1 (0.55) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL5759032 0.81 MAPK1 (0.50) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL5758100 0.80 MAPK1 (0.49) MAPK1MAPK8PIK3CAMAPK9MAPK10
SCHEMBL5758871 0.80 MAPK1 (0.56) MAPK1MAPK8PIK3CAMAPK9MAPK10

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