SCHEMBL4705375

SCHEMBL4705375

[O-][n+]1cc2nc3n(c2c2c(COCc4ccc(F)cc4)cccc21)CCOC3

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL1775324 0.81 GRM5 (0.36) GRM5MAPK1KDM4EL3MBTL1LMNA
SCHEMBL2244245 0.78 DCPS (0.34) GRM5KDM4EL3MBTL1
SCHEMBL1775264 0.73 POLB (0.36) MAPK1KDM4ELMNA
SCHEMBL4707666 0.72 GRM5 (0.40) GRM5MAPK1KDM4EL3MBTL1LMNA
SCHEMBL1774617 0.69 GRM5 (0.30) GRM5KDM4EL3MBTL1
SCHEMBL1776124 0.69 GRM5 (0.36) GRM5KDM4EL3MBTL1LMNA
SCHEMBL10123166 0.63 POLB (0.37) KDM4EL3MBTL1LMNA
SCHEMBL4707031 0.60 LMNA (0.38) GRM5MAPK1KDM4ELMNA
SCHEMBL11723136 0.58 POLB (0.57) MAPK1LMNA
SCHEMBL15823276 0.56 CSNK1D (0.42) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831226-A4 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831226-A2 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-12 EP disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed