SCHEMBL5757874

SCHEMBL5757874

FC(F)(F)c1ccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
MAPK1 P28482 6/20 0.46
PIK3CA P42336 2/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
MAPK14 Q16539 1/20 0.45
APP P05067 2/20 0.45
ACHE P22303 1/20 0.44
ACP1 P24666 1/20 0.44
USP1 O94782 2/20 0.42
WDR48 Q8TAF3 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ADORA2A P29274 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
MET P08581 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
SCHEMBL5760017 0.89 MAPK1 (0.51) EPHX2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5759694 0.88 APP (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755834 0.87 MAPT (0.49) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757558 0.85 MAPK1 (0.50) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758049 0.85 MAPK1 (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5761732 0.82 ABCG2 (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5755957 0.82 MAPK1 (0.55) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758213 0.82 MAPK1 (0.46) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758226 0.80 MAPK1 (0.60) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5760302 0.80 SMN1; SMN2 (0.55) 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