SCHEMBL7511441

SCHEMBL7511441

O=c1[nH]ccc(-c2ccncc2)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
JAK2 O60674 1/20 0.48
NOTUM Q6P988 1/20 0.45
PADI4 Q9UM07 1/20 0.43
MAPK14 Q16539 3/20 0.42
GSK3B P49841 2/20 0.42
PIK3CD O00329 1/20 0.42
GCGR P47871 1/20 0.42
AURKA O14965 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
AKT1 P31749 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PRKCZ Q05513 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
SCHEMBL3976914 0.89 MAPT (0.63) MAPTJAK2NOTUMPADI4FGFR1
SCHEMBL11468997 0.75 MAPT (0.60) MAPTJAK2PADI4MAPK14GSK3B
SCHEMBL6936911 0.74 CDC7 (0.54) MAPTMAPK14GCGR
SCHEMBL6936625 0.74 CDC7 (0.54) MAPTMAPK14GCGR
SCHEMBL13203237 0.74 NOTUM (0.61) MAPTNOTUMGSK3BPIK3CDAURKA
SCHEMBL1947214 0.74 NOTUM (0.61) MAPTNOTUMGSK3BPIK3CDAURKA
SCHEMBL2100160 0.73 MAPT (0.58) MAPTMAPK14GSK3BPIK3CDGCGR
Bromide SCHEMBL20502185 0.72 NOTUM (0.58) MAPTNOTUMGSK3BPIK3CDAURKA
Hydrochloric Acid SCHEMBL30730902 0.72 MAPT (0.56) MAPTJAK2MAPK14GSK3BPIK3CD
SCHEMBL14912178 0.70 MAPT (0.54) MAPTJAK2MAPK14GSK3BPIK3CD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed