SCHEMBL5758071

SCHEMBL5758071

Clc1cccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
PDE5A O76074 1/20 0.51
MAPK1 P28482 10/20 0.48
PIK3CA P42336 4/20 0.47
MAPK8 P45983 4/20 0.47
MAPK9 P45984 4/20 0.47
MAPK10 P53779 4/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MAPK14 Q16539 1/20 0.45
HIF1A Q16665 1/20 0.45
APP P05067 2/20 0.45
FYN P06241 1/20 0.44
VCP P55072 1/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL5759670 0.90 MAPK1 (0.52) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5758049 0.87 MAPK1 (0.48) MAP4K4PDE5AMAPK1PIK3CAMAPK8
SCHEMBL5760664 0.86 BCHE (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759529 0.86 CYP1A2 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759694 0.84 APP (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757877 0.84 MAPK1 (0.62) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760181 0.82 PDE5A (0.55) PDE5AMAPK1PIK3CAMAPK8MAPK9
SCHEMBL6765837 0.80 ABCG2 (0.51) PDE5AMAPK1PIK3CAMAPK8MAPK9
SCHEMBL5758226 0.80 MAPK1 (0.60) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5757558 0.80 MAPK1 (0.50) MAP4K4MAPK1PIK3CAMAPK8MAPK9

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