SCHEMBL5757398

SCHEMBL5757398

O=[N+]([O-])c1ccc(Nc2ccc3ncc(-c4ccc(O)cc4)nc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.52
MAPK1 P28482 7/20 0.52
MAPK8 P45983 4/20 0.52
MAPK9 P45984 4/20 0.52
MAPK10 P53779 4/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GUCY1B2 O75343 1/20 0.49
GUCY1A2 P33402 1/20 0.49
GUCY1A1 Q02108 1/20 0.49
GUCY1B1 Q02153 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALK Q9UM73 1/20 0.45
ROCK1 Q13464 1/20 0.44
ALOX12 P18054 1/20 0.43
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
ELANE P08246 1/20 0.42
KDM6B O15054 1/20 0.42

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
SCHEMBL6771783 0.89 RAB9A (0.54) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5758759 0.87 BCHE (0.50) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5760418 0.84 MAPK1 (0.52) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5756773 0.82 MAPK1 (0.54) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5761406 0.82 MAPK1 (0.57) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5757271 0.82 MAPK1 (0.54) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4697024 0.82 MAPK1 (0.56) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5758871 0.82 MAPK1 (0.56) PIK3CAMAPK1MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL5623610 0.81 MAPK1 (0.55) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5759032 0.81 MAPK1 (0.50) PIK3CAMAPK1MAPK8MAPK9MAPK10

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