SCHEMBL5757877

SCHEMBL5757877

O=C(O)c1cccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.62
PIK3CA P42336 5/20 0.61
MAPK8 P45983 5/20 0.61
MAPK9 P45984 5/20 0.61
MAPK10 P53779 5/20 0.61
LDHA P00338 1/20 0.55
LDHB P07195 1/20 0.55
MAPK14 Q16539 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.46
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
HIF1A Q16665 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
SCHEMBL5757683 0.93 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755957 0.88 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758071 0.84 MAP4K4 (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759529 0.84 CYP1A2 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760664 0.84 BCHE (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758449 0.81 MAPK1 (0.53) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757875 0.81 MAPK1 (0.61) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760181 0.81 PDE5A (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759694 0.81 APP (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758226 0.80 MAPK1 (0.60) 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