SCHEMBL12469753

SCHEMBL12469753

Cc1cncc(C(=O)Nc2cnc(OC3CCC3)c(-c3ccc(Cl)cc3)c2)c1.Nc1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.52
BCL9 O00512 6/20 0.46
CTNNB1 P35222 6/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
ABL1 P00519 2/20 0.40
TACR2 P21452 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
CNR2 P34972 1/20 0.38

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 0.95 CNR1 (0.57) CNR1BCL9CTNNB1SCN10AABL1
SCHEMBL2112990 0.82 CNR1 (0.56) CNR1BCL9CTNNB1
SCHEMBL2114580 0.79 CNR1 (0.54) CNR1TACR2SCN5ASCN9ACNR2
SCHEMBL2113194 0.79 CNR1 (0.55) CNR1BCL9CTNNB1
SCHEMBL2113751 0.77 KDM4E (0.54) CNR1BCL9CTNNB1TACR2
SCHEMBL2114684 0.76 CNR1 (0.53) CNR1BCL9CTNNB1SCN10AABL1
SCHEMBL10233773 0.75 CNR1 (0.53) CNR1BCL9CTNNB1TACR2SCN5A
SCHEMBL12469752 0.73 CNR1 (0.44) CNR1TACR2SCN5ASCN9ACNR2
SCHEMBL17866256 0.72 CNR1 (0.49) CNR1BCL9CTNNB1TACR2SCN5A
SCHEMBL411076 0.71 CNR1 (0.67) CNR1TACR2CNR2

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