SCHEMBL6975688

SCHEMBL6975688

N#Cc1ccc(-c2nc(C3=COC=C(C4=CC=CCC4)O3)c(-c3ccccn3)n2O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MAPK13 O15264 1/20 0.33
TGFBR1 P36897 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
GRM5 P41594 4/20 0.31
FFAR1 O14842 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
SCHEMBL4154052 0.80 TGFBR1 (0.52) MAPK13TGFBR1MAPK12MAPK11MAPK14
SCHEMBL4074281 0.77 TGFBR1 (0.34) TGFBR1MAPK14GRM5
SCHEMBL4085337 0.73 TGFBR1 (0.34) TGFBR1MAPK14GRM5
SCHEMBL4075747 0.71 MEN1 (0.46) MEN1KMT2AATMMAPK13TGFBR1
SCHEMBL6975683 0.70 TGFBR1 (0.54) MEN1KMT2AATMMAPK13TGFBR1
SCHEMBL29624091 0.70 TGFBR1 (0.61) MEN1KMT2AATMMAPK13TGFBR1
SCHEMBL4084260 0.70 TGFBR1 (0.61) MEN1KMT2AATMMAPK13TGFBR1
SCHEMBL6979584 0.70 TGFBR1 (0.45) MEN1KMT2AATMMAPK13TGFBR1
SCHEMBL13218171 0.69 ATM (0.43) MEN1KMT2AATMMAPK13TGFBR1
SCHEMBL5268022 0.68 CHEK1 (0.31)

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