SCHEMBL12469752

SCHEMBL12469752

Cc1cncc(C(=O)N(c2cnc(OC3CCC3)c(-c3ccc(Cl)cc3)c2)c2cc(-c3ccc(Cl)cc3)c(OC3CCC3)nc2C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.44
TYK2 P29597 2/20 0.34
TACR2 P21452 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
GRM2 Q14416 1/20 0.33
CNR2 P34972 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL2112938 0.75 CNR1 (0.57) CNR1TACR2SCN9ASCN5ACNR2
SCHEMBL12469753 0.73 CNR1 (0.52) CNR1TACR2SCN9ASCN5ACNR2
SCHEMBL411076 0.68 CNR1 (0.67) CNR1TACR2CNR2MAP4K4
SCHEMBL2114580 0.66 CNR1 (0.54) CNR1TACR2SCN9ASCN5ACNR2
SCHEMBL2112990 0.64 CNR1 (0.56) CNR1
SCHEMBL12469957 0.64 CNR1 (0.49) CNR1TACR2SCN9ASCN5ACNR2
SCHEMBL12469536 0.63 CNR1 (0.42) CNR1TYK2MKNK1MKNK2GRM2
SCHEMBL2113751 0.62 KDM4E (0.54) CNR1TACR2
SCHEMBL2113194 0.62 CNR1 (0.55) CNR1
SCHEMBL10233773 0.62 CNR1 (0.53) CNR1TACR2SCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP claimed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP claimed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO claimed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP disclosed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO disclosed