SCHEMBL5760063

SCHEMBL5760063

FC(F)(F)c1cccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.53
ABCG2 Q9UNQ0 4/20 0.51
IDH2 P48735 1/20 0.49
CTSC P53634 3/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.43
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL5759669 0.90 MAPK1 (0.47) AURKACTSCKDM4EGAATHRB
SCHEMBL5761732 0.87 ABCG2 (0.48) ABCG2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL6762811 0.85 ABCG2 (0.51) ABCG2GSK3BMAPTMAPK1PIK3CA
SCHEMBL5759348 0.84 MAPK1 (0.53) KDM4EMAPTMAPK1PIK3CAMAPK8
SCHEMBL5757913 0.82 PIK3CA (0.54) ABCG2MAPTMAPK1PIK3CAMAPK8
SCHEMBL6765837 0.82 ABCG2 (0.51) ABCG2KDM4EMAPK1PIK3CAMAPK8
SCHEMBL5759694 0.81 APP (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757875 0.80 MAPK1 (0.61) ABCG2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL6767084 0.78 PIK3CA (0.49) ABCG2KDM4ETHRBMAPTMAPK1
SCHEMBL6762843 0.78 BCHE (0.56) ABCG2KDM4EGAAMAPT

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