SCHEMBL5757913

SCHEMBL5757913

Cc1cccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.54
MAPK8 P45983 6/20 0.54
MAPK9 P45984 6/20 0.54
MAPK10 P53779 6/20 0.54
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ABCB1 P08183 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
MAPK1 P28482 5/20 0.47
MAPK14 Q16539 1/20 0.47
TP53 P04637 2/20 0.47
KDR P35968 2/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PDGFRB P09619 1/20 0.45
FLT3 P36888 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
SCHEMBL5757489 0.90 PIK3CA (0.54) PIK3CAMAPK8MAPK9MAPK10BCHE
SCHEMBL5759348 0.87 MAPK1 (0.53) PIK3CAMAPK8MAPK9MAPK10MAPT
SCHEMBL5757148 0.86 LMNA (0.52) PIK3CAMAPK8MAPK9MAPK10MAPT
SCHEMBL6762811 0.85 ABCG2 (0.51) PIK3CAMAPK8MAPK9MAPK10BCHE
SCHEMBL6765837 0.85 ABCG2 (0.51) PIK3CAMAPK8MAPK9MAPK10ABCB1
SCHEMBL5757875 0.82 MAPK1 (0.61) PIK3CAMAPK8MAPK9MAPK10ABCG2
SCHEMBL5760063 0.82 AURKA (0.53) PIK3CAMAPK8MAPK9MAPK10MAPT
SCHEMBL6762843 0.81 BCHE (0.56) BCHEACHEMAPTSMN1; SMN2ABCG2
SCHEMBL5759529 0.80 CYP1A2 (0.51) PIK3CAMAPK8MAPK9MAPK10BCHE
SCHEMBL14901118 0.80 MAPK1 (0.53) PIK3CAMAPK8MAPK9MAPK10MAPT

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