SCHEMBL5509023

SCHEMBL5509023

CC(C)Cc1ccc2nc(N)c3nc(CO)[nH]c3c2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
DHFR P00374 8/20 0.35
TLR7 Q9NYK1 4/20 0.33
TLR8 Q9NR97 3/20 0.33
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9044563 0.72
SCHEMBL5510349 0.71 DHFR (0.33) DHFRTLR7TLR8
SCHEMBL5504493 0.71 ADORA2A (0.40) KDM4EMAPTTLR7TLR8ADORA3
SCHEMBL6807516 0.68 PI4KA (0.41) DHFRTLR7TLR8
SCHEMBL5504392 0.67 MAPT (0.34) KDM4EMAPTDHFRADORA3ADORA2A
SCHEMBL5616291 0.67 DHFR (0.39) DHFRTLR7TLR8
SCHEMBL1703456 0.66 TLR7 (0.57) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL3862404 0.63 TLR8 (0.37) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL3977482 0.63 TLR7 (0.37) KDM4EMAPTDHFRTLR7TLR8
Isobutanol SCHEMBL10444099 0.63 KMT2A (0.45) KDM4EMAPTTLR7TLR8ADORA2A

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-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed