SCHEMBL5758032

SCHEMBL5758032

Fc1ccc(CNc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GPR55 Q9Y2T6 1/20 0.45
KCNH3 Q9ULD8 2/20 0.44
TP53 P04637 1/20 0.43
ADORA2A P29274 1/20 0.43
APP P05067 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NTRK1 P04629 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
PIM1 P11309 1/20 0.42
PDE5A O76074 2/20 0.41
ACHE P22303 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
SCHEMBL5756762 0.90 MAPK14 (0.47) MAPK14MAPTLMNAKMT2AMEN1
SCHEMBL5755834 0.81 MAPT (0.49) MAPK14MAPTLMNAKMT2AMEN1
SCHEMBL1351245 0.73 L3MBTL1 (0.43) LMNAKMT2AMEN1POLBGAA
SCHEMBL1351373 0.73 L3MBTL1 (0.43) LMNAKMT2AMEN1POLBGAA
Hydrochloric Acid SCHEMBL1352783 0.72 L3MBTL1 (0.42) LMNAKMT2AMEN1POLBGAA
Hydrochloric Acid SCHEMBL1350940 0.72 L3MBTL1 (0.42) LMNAKMT2AMEN1POLBGAA
SCHEMBL5760489 0.69 MAPK1 (0.54) KMT2AMEN1GPR55PIM1
SCHEMBL5757874 0.69 EPHX2 (0.50) MAPK14MAPTTP53ADORA2AAPP
SCHEMBL5760664 0.69 BCHE (0.48) MAPK14APPACHE
SCHEMBL5758049 0.68 MAPK1 (0.48) MAPK14MAPTLMNAKMT2AMEN1

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