SCHEMBL4695451

SCHEMBL4695451

C=C(C)c1cccn2c(-c3c(C)nc4c(CCCCC)cc(C)nn34)c(C)nc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.32
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMPD3 Q9NY59 1/20 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
SCHEMBL4693232 0.84 ATP4A (0.35) TLR8SMPD3
SCHEMBL3960400 0.80 CRHR1 (0.46) SMPD3
SCHEMBL4787114 0.78 TLR8 (0.38) TLR8SMPD3
SCHEMBL4693091 0.78 FPR1 (0.33)
SCHEMBL3963675 0.72 CRHR1 (0.46) SMPD3
SCHEMBL4694389 0.67 CYP2A6 (0.36) TLR8SMPD3
SCHEMBL3962507 0.67 CRHR1 (0.46) SMPD3
SCHEMBL4689722 0.66 CRHR1 (0.32) TLR8
SCHEMBL4694546 0.65 CRHR1 (0.39) TLR8
SCHEMBL4694319 0.65 CRHR1 (0.37) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed