SCHEMBL6765225

SCHEMBL6765225

O=[N+]([O-])c1ccccc1Nc1ccc2ncc(-c3ccccc3)nc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
MAPT P10636 3/20 0.47
MAPK1 P28482 9/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CA P42336 5/20 0.47
MAPK8 P45983 5/20 0.47
MAPK9 P45984 5/20 0.47
MAPK10 P53779 5/20 0.47
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CASP7 P55210 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 3/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
EGFR P00533 1/20 0.39

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
SCHEMBL5759032 0.91 MAPK1 (0.50) ABCG2MAPTMAPK1RAB9AMEN1
SCHEMBL6771783 0.81 RAB9A (0.54) ABCG2MAPTMAPK1RAB9AMEN1
SCHEMBL6767095 0.81 MAPK1 (0.47) MAPK1RAB9ASMN1; SMN2PIK3CAMAPK8
SCHEMBL6772317 0.79 MAPK1 (0.48) MAPTMAPK1MEN1KMT2APIK3CA
SCHEMBL5762063 0.79 MAPK1 (0.54) MAPK1RAB9ASMN1; SMN2PIK3CAMAPK8
SCHEMBL5758412 0.79 MAPK1 (0.48) MAPTMAPK1RAB9ASMN1; SMN2PIK3CA
SCHEMBL6762843 0.79 BCHE (0.56) ABCG2MAPTRAB9AMEN1KMT2A
SCHEMBL5760459 0.79 MAPK8 (0.54) MAPTMAPK1PIK3CAMAPK8MAPK9
SCHEMBL5759348 0.77 MAPK1 (0.53) MAPTMAPK1RAB9AMEN1KMT2A
SCHEMBL5755458 0.76 AURKA (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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