SCHEMBL6966236

SCHEMBL6966236

N#Cc1cccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)n2O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.44
GRM5 P41594 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR2 Q92731 1/20 0.44
ADORA1 P30542 5/20 0.43
ADORA2A P29274 4/20 0.43
ADORA2B P29275 3/20 0.43
DCTPP1 Q9H773 1/20 0.43
ACVR1B P36896 2/20 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
SCHEMBL29624091 0.92 TGFBR1 (0.61) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4084260 0.92 TGFBR1 (0.61) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6975683 0.86 TGFBR1 (0.54) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6179707 0.83 TGFBR1 (0.50) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6979584 0.78 TGFBR1 (0.45) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4084904 0.77 TGFBR1 (0.84) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4075747 0.72 MEN1 (0.46) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL373802 0.70 TGFBR1 (1.00) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4074669 0.69 TGFBR1 (0.64) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13998757 0.69 TGFBR1 (0.75) TGFBR1MAPK13MAPK12MAPK11MAPK14

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