SCHEMBL5500726

SCHEMBL5500726

CCOCc1nc2c(N)nc3cc(-c4cccnc4)cc(CCCCN)c3c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
TLR8 Q9NR97 11/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
PDPK1 O15530 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NLRP3 Q96P20 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HRH1 P35367 2/20 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
Hydrochloric Acid SCHEMBL6762416 0.81 MKNK1 (0.33) DHFRMMP2MMP13MMP14PDPK1
SCHEMBL6762448 0.79 TLR8 (0.35) DHFRTLR8MMP2MMP13MMP14
SCHEMBL18588106 0.78 TLR8 (0.42) DHFRTLR8
SCHEMBL5504392 0.73 MAPT (0.34) DHFRCYP19A1CYP11B1CYP11B2NLRP3
SCHEMBL6220080 0.71 TLR8 (0.33) TLR8
SCHEMBL5271662 0.71 TLR8 (0.43) DHFRTLR8
SCHEMBL6685706 0.69
SCHEMBL23421089 0.69 TLR8 (0.34) DHFRTLR8
SCHEMBL4520810 0.68 TLR7 (0.34)
SCHEMBL18585619 0.68 TLR8 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
EP-1851218-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed