SCHEMBL23615469

SCHEMBL23615469

CCCC(CCn1c(=O)sc2cnc(N)nc21)OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FGFR1 P11362 3/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
CNR2 P34972 1/20 0.30

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
SCHEMBL339335 0.78 ADORA2B (0.41) CNR2
SCHEMBL12809034 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL21941663 0.73 TLR7 (0.46)
SCHEMBL19935237 0.73 KDM4E (0.34) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL21942000 0.70 PIK3CA (0.32) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL23615487 0.69 FGFR1 (0.32) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6974701 0.68 TLR7 (0.41)
SCHEMBL338747 0.67 L3MBTL1 (0.51) KDM4EALDH1A1HSD17B10
SCHEMBL338592 0.66 EGFR (0.30) FGFR1FGFR2FGFR4FGFR3
SCHEMBL338669 0.66 AHCY (0.34)

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
EP-3845227-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed