SCHEMBL5035340

SCHEMBL5035340

COc1ccccc1Oc1c(O)nc(-c2ccnc(C(N)=O)c2)nc1O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHPS P49366 16/20 0.43
MAPK8 P45983 1/20 0.41
CAMKK2 Q96RR4 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
SCHEMBL14278703 0.87 SYK (0.38) DHPS
SCHEMBL6179294 0.85 DHPS (0.41) DHPS
SCHEMBL4061462 0.79 DHPS (0.49) DHPS
SCHEMBL28568819 0.78 DHPS (0.59) DHPS
SCHEMBL5039291 0.77 DHPS (0.49) DHPS
SCHEMBL1937757 0.76 EDNRA (0.49) DHPS
SCHEMBL5032721 0.74 DHPS (0.49) DHPS
SCHEMBL5036194 0.73 EDNRA (0.77)
SCHEMBL9423634 0.73 FFAR1 (0.51)
SCHEMBL5039297 0.73 DHPS (0.61) DHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979822-B1 Process for the preparation of 2-carbamoyl-pyridines HOFFMANN LA ROCHE (CH) 2005-11-30 EP claimed
US-6103902-A Carbamoylation process HOFFMANN-LA ROCHE INC. (US) 2000-08-15 US claimed
EP-0979822-A1 Process for the preparation of 2-carbamoyl-pyridines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP claimed
EP-1149091-B1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
EP-0979822-B1 Process for the preparation of 2-carbamoyl-pyridines HOFFMANN LA ROCHE (CH) 2005-11-30 EP disclosed
EP-1149091-A1 4-(HETEROCYCLYLSULFONAMIDO)-5-METHOXY-6-(2-METHOXYPHENOXY)-2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242601-B1 ENDOTHELIN RECEPTORS INHIBITORS SUCH AS 4-(4-METHOXY-5-(2-METHOXY-PHENOXY)-6-(5-METHYL-PYRIDINE-2-SULF ONYLAMINO)-PYRIMIDIN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID USED TO TREAT CARDIOVASCULAR SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2001-06-05 US disclosed
US-6103902-A Carbamoylation process HOFFMANN-LA ROCHE INC. (US) 2000-08-15 US disclosed
WO-2000042035-A1 4-(HETEROCYCLYLSULFONAMIDO) -5-METHOXY-6- (2-METHOXYPHENOXY) -2-PHENYL- OR PYRIDYLPYRIMIDINES AS ENDOTHELIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-07-20 WO disclosed
JP-2000063377-A PRODUCTION OF SUBSTITUTED PYRIDINE F HOFFMANN LA ROCHE AG 2000-02-29 JP disclosed
EP-0979822-A1 Process for the preparation of 2-carbamoyl-pyridines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP disclosed