SCHEMBL5758326

SCHEMBL5758326

Oc1ccc(-c2cnc3ccc(NCc4ccccc4Cl)nc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.52
PIK3CA P42336 12/20 0.52
MAPK8 P45983 10/20 0.52
MAPK9 P45984 10/20 0.52
MAPK10 P53779 10/20 0.52
MAP4K4 O95819 1/20 0.47
BCHE P06276 1/20 0.45
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAOB P27338 1/20 0.40
PDE5A O76074 1/20 0.40

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
SCHEMBL5756045 0.91 MAP4K4 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755308 0.88 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759060 0.87 MAPK1 (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759310 0.84 MAPK1 (0.49) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757789 0.84 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758226 0.84 MAPK1 (0.60) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6767217 0.82 MAPK1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5761957 0.82 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755819 0.81 MAPK1 (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5759670 0.81 MAPK1 (0.52) 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