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Sugi Predict / Compounds / SCHEMBL4787114

SCHEMBL4787114

SCHEMBL4787114

CCCCCc1cc(C)nn2c(-c3c(C)nc4c(CCC)cc(C)nn34)c(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.38
▸ CRHR1 P34998 6/20 0.33
▸ SMPD3 Q9NY59 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CRHR2 Q13324 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL3967699 0.81 CRHR1 (0.52) CRHR1SMPD3CRHR2
SCHEMBL4693232 0.80 ATP4A (0.35) TLR8SMPD3
SCHEMBL4695451 0.78 TLR8 (0.32) TLR8SMPD3
SCHEMBL3935197 0.77 SMPD3 (0.35) CRHR1SMPD3CRHR2
SCHEMBL4694389 0.77 CYP2A6 (0.36) TLR8CRHR1SMPD3
SCHEMBL4690582 0.75 CRHR1 (0.53) CRHR1CRHR2ADORA3
SCHEMBL4692974 0.75 PPARG (0.32) TLR8CRHR1
SCHEMBL4694406 0.75 CRHR1 (0.33) CRHR1
SCHEMBL4690131 0.75 PTGDR2 (0.32) TLR8
SCHEMBL4695462 0.75 ADRA2A (0.43) CRHR1ALDH1A1

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