SCHEMBL7463262

SCHEMBL7463262

CC(C)c1nc2c(Br)c[nH]c(=O)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
CDC7 O00311 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PNP P00491 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA2B P29275 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL27336080 0.78 CSNK2A1 (0.44) PIM1CSNK2A1ADORA3ADORA2AADORA1
SCHEMBL7469470 0.77 DPYD (0.40) ALDH1A1MAPK1
SCHEMBL7467007 0.77 KDM4E (0.38) CSNK2BCSNK2A1ADORA3ADORA2AADORA1
SCHEMBL7468346 0.74 SMN1; SMN2 (0.43) ALDH1A1GLA
SCHEMBL19242505 0.68 PARP1 (0.41) CSNK2A1PNPADORA3ALDH1A1
SCHEMBL22487726 0.67 SLC2A1 (0.58) PNPADORA3ADORA2AADORA1ADORA2B
SCHEMBL7443209 0.67 KDM4E (0.40) GSK3BADORA3ADORA2AADORA1ADORA2B
SCHEMBL6979552 0.67 PPARG (0.46) GSK3BCDC7PIM1CSNK2BCSNK2A1
SCHEMBL16475170 0.65 PDPK1 (0.50) CSNK2BCSNK2A1PNPALDH1A1MAPK1
SCHEMBL22487730 0.63 ACHE (0.37) GSK3BADORA2AADORA2BALDH1A1

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
US-6492384-B1 Imidazo (4,5-C) pyridine-4-one derivatives with factor XA inhibiting effect MERCK PATENT GMBH (DE) 2002-12-10 US disclosed
EP-1117664-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GmbH (DE) 2001-07-25 EP disclosed
WO-2000020416-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GMBH (DE) 2000-04-13 WO disclosed