SCHEMBL4702126

SCHEMBL4702126

CC(C)C1COCc2nc3c(N)nc4cc(OCc5ccccc5)ccc4c3n21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TLR7 Q9NYK1 5/20 0.35
CYP3A4 P08684 2/20 0.35
DYRK1A Q13627 1/20 0.35
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
GRM5 P41594 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1775134 1.00 PARP14 (0.37) PARP14HRH3TLR7CYP3A4DYRK1A
SCHEMBL1774906 0.94 CYP3A4 (0.37) HRH3CYP3A4SRCABL1GRM5
SCHEMBL1774146 0.89 PARP14 (0.39) PARP14TLR7CYP3A4DYRK1AGRM5
SCHEMBL1775116 0.85 TLR7 (0.36) PARP14TLR7CYP3A4DYRK1AGRM5
SCHEMBL1774744 0.83 TLR7 (0.45) TLR7
SCHEMBL10237183 0.83 TLR7 (0.45) TLR7
SCHEMBL1775756 0.82 MEN1 (0.41) SRCNPC1
SCHEMBL1773836 0.82 CYP3A4 (0.39) TLR7CYP3A4GRM5NPC1RAB9A
SCHEMBL10237173 0.82 CYP3A4 (0.39) TLR7CYP3A4GRM5NPC1RAB9A
SCHEMBL1773415 0.81 TLR7 (0.44) TLR7

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