SCHEMBL5758049

SCHEMBL5758049

Clc1ccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.48
PIK3CA P42336 2/20 0.48
MAPK8 P45983 2/20 0.48
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
CLK4 Q9HAZ1 3/20 0.48
DYRK1A Q13627 2/20 0.48
PDE5A O76074 1/20 0.48
MAPK14 Q16539 1/20 0.47
MAP4K4 O95819 1/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
LYN P07948 1/20 0.45
PIM1 P11309 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL5761957 0.88 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755834 0.88 MAPT (0.49) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757558 0.88 MAPK1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758071 0.87 MAP4K4 (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757874 0.85 EPHX2 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755957 0.85 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758226 0.83 MAPK1 (0.60) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5756045 0.83 MAP4K4 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760302 0.83 SMN1; SMN2 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6765135 0.81 TP53 (0.50) 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