SCHEMBL5757148

SCHEMBL5757148

Cc1ccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 9/20 0.50
PIK3CA P42336 7/20 0.50
MAPK14 Q16539 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GBA1 P04062 1/20 0.49
MAPK8 P45983 5/20 0.48
MAPK9 P45984 5/20 0.48
MAPK10 P53779 5/20 0.48
ABCG2 Q9UNQ0 1/20 0.45
KDR P35968 2/20 0.44
PDGFRB P09619 1/20 0.44
FLT3 P36888 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5759348 0.90 MAPK1 (0.53) MAPTMAPK1PIK3CAMAPK14RAB9A
SCHEMBL5761406 0.87 MAPK1 (0.57) MAPK1PIK3CAMAPK14MEN1KMT2A
SCHEMBL6767084 0.87 PIK3CA (0.49) LMNATP53MAPTMAPK1PIK3CA
SCHEMBL6765135 0.87 TP53 (0.50) LMNATP53MAPTMAPK1PIK3CA
SCHEMBL5757913 0.86 PIK3CA (0.54) LMNATP53MAPTMAPK1PIK3CA
SCHEMBL5761732 0.84 ABCG2 (0.48) MAPK1PIK3CAMAPK14MAPK8MAPK9
SCHEMBL5759397 0.84 NPC1 (0.57) MAPTMAPK1PIK3CAMAPK14NPC1
SCHEMBL4679598 0.83 MAPK1 (0.62) TP53MAPTPOLBMAPK1PIK3CA
SCHEMBL6771783 0.82 RAB9A (0.54) LMNAMAPTMAPK1PIK3CAMAPK14
SCHEMBL5762063 0.82 MAPK1 (0.54) MAPK1PIK3CAMAPK14NPC1RAB9A

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