SCHEMBL5756773

SCHEMBL5756773

Oc1ccc(-c2cnc3ccc(Nc4ccc(F)cc4)nc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.54
PIK3CA P42336 9/20 0.54
MAPK8 P45983 7/20 0.54
MAPK9 P45984 7/20 0.54
MAPK10 P53779 7/20 0.54
ALOX5 P09917 2/20 0.48
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.45
BCHE P06276 1/20 0.43
MET P08581 2/20 0.42
DHFR P00374 1/20 0.40
RIPK1 Q13546 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
SCHEMBL5757271 0.88 MAPK1 (0.54) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5761406 0.88 MAPK1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4697024 0.87 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6767084 0.87 PIK3CA (0.49) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760632 0.87 MAPK1 (0.51) MAPK1PIK3CAMAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL5623610 0.86 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755728 0.86 MAPK1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6767575 0.84 PIK3CA (0.59) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758871 0.84 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757398 0.82 PIK3CA (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