SCHEMBL6975683

SCHEMBL6975683

N#Cc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)n2O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.54
MAPK14 Q16539 2/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
CSNK1A1 P48729 2/20 0.44
CSNK1D P48730 2/20 0.44
CSNK1E P49674 2/20 0.44
CSNK1G2 P78368 1/20 0.44
PRKD1 Q15139 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4084260 0.94 TGFBR1 (0.61) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29624091 0.94 TGFBR1 (0.61) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6979584 0.90 TGFBR1 (0.45) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6966236 0.86 TGFBR1 (0.54) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6179707 0.82 TGFBR1 (0.50) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4075747 0.80 MEN1 (0.46) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4154047 0.76 TGFBR1 (0.89) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13218171 0.76 ATM (0.43) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7553394 0.74 TGFBR1 (0.60) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7552634 0.74 TGFBR1 (0.60) TGFBR1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169317-B1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
US-6465493-B1 SUCH AS 4-(4-(4-FLUOROPHENYL)-5-(2-PYRIDYL)-1-HYDROXY-1H-IMIDAZOL-2-YL)BENZONITRILE; ALK5 MEDIATED DISEASES SUCH AS ARTHRITIS, OSTEOPOROSIS, KIDNEY AND RENAL DISEASES, CONGES-TIVE HEART FAILURE, ULCERS, DIABETIC NEPHROPATHY SMITHKLINE BEECHAM CORPORATION 2002-10-15 US disclosed
EP-1169317-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2002-01-09 EP disclosed
WO-2000061576-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2000-10-19 WO disclosed