SCHEMBL5755834

SCHEMBL5755834

Fc1ccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 9/20 0.48
PIK3CA P42336 3/20 0.48
MAPK8 P45983 3/20 0.48
MAPK9 P45984 3/20 0.48
MAPK10 P53779 3/20 0.48
GPR55 Q9Y2T6 1/20 0.48
MAPK14 Q16539 1/20 0.47
TP53 P04637 2/20 0.46
ADORA2A P29274 1/20 0.46
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PDE5A O76074 1/20 0.42
KCNH3 Q9ULD8 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
SCHEMBL5760489 0.88 MAPK1 (0.54) MEN1KMT2AMAPK1PIK3CAMAPK8
SCHEMBL5757558 0.88 MAPK1 (0.50) MEN1KMT2AMAPK1PIK3CAMAPK8
SCHEMBL5758049 0.88 MAPK1 (0.48) MAPTMEN1LMNAKMT2AMAPK1
SCHEMBL5757874 0.87 EPHX2 (0.50) MAPTMAPK1PIK3CAMAPK8MAPK9
SCHEMBL5760664 0.87 BCHE (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755957 0.85 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758226 0.83 MAPK1 (0.60) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759347 0.83 MAP4K4 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760302 0.83 SMN1; SMN2 (0.55) MAPTMEN1LMNAKMT2AMAPK1
SCHEMBL5758032 0.81 MAPK14 (0.51) MAPTMEN1LMNAKMT2AGPR55

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