SCHEMBL5758871

SCHEMBL5758871

O=C(O)c1ccc(Nc2ccc3ncc(-c4ccc(O)cc4)nc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.56
PIK3CA P42336 11/20 0.56
MAPK8 P45983 9/20 0.56
MAPK9 P45984 9/20 0.56
MAPK10 P53779 9/20 0.56
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1B1 P15121 1/20 0.46
MAPK14 Q16539 1/20 0.46
AURKA O14965 2/20 0.45
AURKB Q96GD4 1/20 0.43
HCAR3 P49019 1/20 0.42
CAMK2D Q13557 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
SCHEMBL5759397 0.91 NPC1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758308 0.87 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4697024 0.87 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL5623610 0.85 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5761406 0.84 MAPK1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757271 0.84 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5756773 0.84 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758466 0.83 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757398 0.82 PIK3CA (0.52) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760632 0.81 MAPK1 (0.51) 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