SCHEMBL6972700

SCHEMBL6972700

N#Cc1ccc(-c2nc(-c3ccc4c(c3)OC(F)(F)O4)c(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.72
MAPK14 Q16539 6/20 0.72
MAPK13 O15264 4/20 0.72
MAPK12 P53778 4/20 0.72
MAPK11 Q15759 4/20 0.72
ACVR1B P36896 2/20 0.51
CSNK1A1 P48729 2/20 0.50
CSNK1D P48730 2/20 0.50
CSNK1E P49674 2/20 0.50
CSNK1G2 P78368 1/20 0.50
PRKD1 Q15139 1/20 0.50
CSNK1G1 Q9HCP0 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RIPK2 O43353 1/20 0.50
PRKD3 O94806 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4154047 0.84 TGFBR1 (0.89) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL373802 0.84 TGFBR1 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4078016 0.83 TGFBR1 (0.73) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4082163 0.80 MAPK14 (0.67) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4085338 0.80 TGFBR1 (0.74) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4084904 0.76 TGFBR1 (0.84) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4086169 0.75 MAPK14 (0.62) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13217780 0.75 TGFBR1 (0.59) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL28825919 0.73 TGFBR1 (0.82) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6181382 0.72 TGFBR1 (0.78) 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