SCHEMBL5758449

SCHEMBL5758449

O=C(O)c1ccccc1CNc1ccc2ncc(-c3ccccc3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.53
PIK3CA P42336 8/20 0.53
MAPK8 P45983 7/20 0.53
MAPK9 P45984 7/20 0.53
MAPK10 P53779 7/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL5757789 0.94 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755117 0.83 MAPK1 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5756045 0.82 MAP4K4 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759347 0.82 MAP4K4 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755957 0.82 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757877 0.81 MAPK1 (0.62) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760459 0.80 MAPK8 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6767095 0.80 MAPK1 (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758213 0.80 MAPK1 (0.46) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755308 0.77 MAPK1 (0.55) 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