SCHEMBL6179187

SCHEMBL6179187

COc1ccccc1Oc1c(Cl)nc(-c2ccnc(C=NNN)c2)nc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHPS P49366 17/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
OPRK1 P41145 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6179576 0.87 DHPS (0.59) DHPS
SCHEMBL6180352 0.80 EDNRA (0.60)
SCHEMBL5036558 0.79 DHPS (0.48) DHPS
SCHEMBL4061451 0.79 DHPS (0.58) DHPS
SCHEMBL4062097 0.77 DHPS (0.51) DHPS
SCHEMBL5632776 0.75 DHPS (0.43) DHPS
SCHEMBL7415372 0.74 DHPS (0.50) DHPSHTTMAPT
SCHEMBL7979535 0.73 EDNRB (0.50) DHPSKDM4EHTTMAPT
SCHEMBL7979436 0.73 EDNRB (0.43) DHPS
SCHEMBL6585958 0.72 DHPS (0.55) 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 5 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
EP-0979822-A1 Process for the preparation of 2-carbamoyl-pyridines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP claimed
EP-0979822-B1 Process for the preparation of 2-carbamoyl-pyridines HOFFMANN LA ROCHE (CH) 2005-11-30 EP disclosed
US-6103902-A Carbamoylation process HOFFMANN-LA ROCHE INC. (US) 2000-08-15 US disclosed
EP-0979822-A1 Process for the preparation of 2-carbamoyl-pyridines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP disclosed