SCHEMBL4753082

SCHEMBL4753082

CC(CNCCCNC(=O)OC(C)(C)C)Cc1nc2nc3ccccc3nc2c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.41
KIF11 P52732 1/20 0.41
BRD4 O60885 3/20 0.40
MALT1 Q9UDY8 1/20 0.38
GNRHR P30968 1/20 0.38
CYP3A4 P08684 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL4753094 0.85 GNRHR (0.41) TLR7KIF11BRD4GNRHRCYP3A4
SCHEMBL4096829 0.81 KIF11 (0.44) TLR7KIF11BRD4MALT1GNRHR
SCHEMBL5250052 0.80 KIF11 (0.40) TLR7KIF11BRD4GNRHRNPSR1
SCHEMBL5248653 0.80 KIF11 (0.42) TLR7KIF11BRD4GNRHRCYP3A4
SCHEMBL4752600 0.79 KIF11 (0.42) TLR7KIF11CYP3A4SCN9ASCN10A
SCHEMBL4753081 0.78 KIF11 (0.45) TLR7KIF11GNRHRNPSR1L3MBTL1
SCHEMBL5325935 0.78 KIF11 (0.39) TLR7KIF11BRD4GNRHRL3MBTL1
SCHEMBL4750950 0.75 TLR7 (0.48) TLR7KIF11BRD4GNRHRTDP1
SCHEMBL4752671 0.75 PDE4A (0.42) TLR7NPSR1L3MBTL1TDP1
SCHEMBL4098315 0.74 LMNA (0.48) TLR7NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed