SCHEMBL4040897

SCHEMBL4040897

CCCCOc1nc(N2CCOCC2)c2[nH]c(=O)c(=O)n(Cc3ccc(F)cc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.50
IL6 P05231 4/20 0.50
CYP1A2 P05177 3/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CASP1 P29466 2/20 0.44
CYP2D6 P10635 1/20 0.44
CASP7 P55210 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
BRCA1 P38398 1/20 0.42

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
SCHEMBL4035856 0.90 TLR7 (0.49) TLR7IL6
SCHEMBL3945618 0.74 ALDH1A1 (0.43) TLR7CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13274936 0.74 TLR7 (0.67) TLR7IL6CYP3A4
SCHEMBL3947510 0.73 TLR7 (0.49) TLR7IL6
SCHEMBL13275562 0.72 TLR7 (0.64) TLR7IL6
SCHEMBL1146212 0.71 TLR7 (0.79) TLR7IL6
SCHEMBL34462360 0.70 TLR7 (0.54) TLR7IL6
SCHEMBL3945621 0.70 TLR7 (0.37) TLR7KMT2ATSHR
SCHEMBL13274307 0.70 TLR7 (0.64) TLR7IL6
SCHEMBL4038955 0.69 TLR9 (0.68)

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
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO claimed
WO-2009022185-A2 6, 6-FUSED HETEROCYCLES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHOS OF USE ASTRAZENECA AB (SE) 2009-02-19 WO disclosed