SCHEMBL5757875

SCHEMBL5757875

O=C(O)c1cccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.61
PIK3CA P42336 5/20 0.61
MAPK8 P45983 5/20 0.61
MAPK9 P45984 5/20 0.61
MAPK10 P53779 5/20 0.61
MAPK14 Q16539 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
PRKCA P17252 1/20 0.49
RHOA P61586 1/20 0.49
ATR Q13535 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ABCG2 Q9UNQ0 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
SCHEMBL5758308 0.92 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759397 0.87 NPC1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759348 0.84 MAPK1 (0.53) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6762811 0.82 ABCG2 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757913 0.82 PIK3CA (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6765837 0.82 ABCG2 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757877 0.81 MAPK1 (0.62) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6762843 0.80 BCHE (0.56) NPC1RAB9AKMT2AMEN1ABL1
SCHEMBL5760063 0.80 AURKA (0.53) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4697024 0.78 MAPK1 (0.56) 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