SCHEMBL5757489

SCHEMBL5757489

Cc1cccc(Nc2ccc3ncc(-c4ccc(O)cc4)nc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.54
MAPK8 P45983 9/20 0.54
MAPK9 P45984 9/20 0.54
MAPK10 P53779 9/20 0.54
MAPK1 P28482 11/20 0.53
GAA P10253 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.45
AURKA O14965 1/20 0.44
PIK3CG P48736 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL5757913 0.90 PIK3CA (0.54) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5759755 0.86 MAPK1 (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5755728 0.86 MAPK1 (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5761406 0.86 MAPK1 (0.57) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL6765264 0.86 PIK3CA (0.55) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL4697024 0.86 MAPK1 (0.56) PIK3CAMAPK8MAPK9MAPK10MAPK1
Hydrochloric Acid SCHEMBL5623610 0.84 MAPK1 (0.55) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5759669 0.84 MAPK1 (0.47) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5758308 0.84 MAPK1 (0.56) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5758759 0.82 BCHE (0.50) PIK3CAMAPK8MAPK9MAPK10MAPK1

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 4 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-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