SCHEMBL5759529

SCHEMBL5759529

Cc1cccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.51
CYP3A4 P08684 10/20 0.51
CYP2C19 P33261 10/20 0.51
CYP2D6 P10635 9/20 0.51
ALDH1A1 P00352 8/20 0.51
HSD17B10 Q99714 7/20 0.51
TDP1 Q9NUW8 7/20 0.51
HPGD P15428 6/20 0.51
TSHR P16473 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALOX15 P16050 3/20 0.51
KDM4E B2RXH2 4/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MAPK1 P28482 10/20 0.47
USP2 O75604 5/20 0.47
MAPT P10636 5/20 0.47
HIF1A Q16665 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL5758853 0.90 MAPK1 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL5757558 0.87 MAPK1 (0.50) ALDH1A1HPGDKDM4EMAPK1HIF1A
SCHEMBL5758071 0.86 MAP4K4 (0.52) ACHEMAPK1MAPTHIF1ATP53
SCHEMBL5760664 0.86 BCHE (0.48) BCHEACHEMAPK1MAPK14PIK3CA
SCHEMBL5759694 0.84 APP (0.47) MAPK1MAPK14PIK3CAMAPK8MAPK9
SCHEMBL5757877 0.84 MAPK1 (0.62) MAPK1HIF1AMAPK14PIK3CAMAPK8
SCHEMBL5760181 0.82 PDE5A (0.55) ALDH1A1SMN1; SMN2KDM4EBCHEACHE
SCHEMBL5755117 0.81 MAPK1 (0.51) SMN1; SMN2MAPK1HIF1AMAPK14PIK3CA
SCHEMBL5758049 0.80 MAPK1 (0.48) ALDH1A1HPGDSMN1; SMN2KDM4EACHE
SCHEMBL5757913 0.80 PIK3CA (0.54) SMN1; SMN2BCHEACHEMAPK1MAPT

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