SCHEMBL3405880

SCHEMBL3405880

CC1CCC(C(C)C)C(Nc2nc(N)c3nc(Br)n(CC4CCOCC4)c3n2)(C2CCCC2)C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL3405878 0.76 PDE8B (0.31)
SCHEMBL3320276 0.74 ADORA2A (0.40) TMIGD3ADORA2AADORA2BADORA1
SCHEMBL3321834 0.73 PDE5A (0.40) TMIGD3ADORA2AADORA2BADORA1
SCHEMBL2198368 0.68 PDE8B (0.42) ADORA2AADORA2BADORA1
SCHEMBL2198895 0.67 TLR7 (0.45) ADORA2AADORA2BADORA1
SCHEMBL5163571 0.60 ADORA1 (0.67) TMIGD3ADORA2AADORA2BADORA1
SCHEMBL5163706 0.59 ADORA2A (0.68) TMIGD3ADORA2AADORA2BADORA1
SCHEMBL2199449 0.58 PDE8B (0.40) ADORA2AADORA2BADORA1
SCHEMBL2196854 0.58 TLR7 (0.47) TMIGD3ADORA2AADORA2BADORA1
SCHEMBL2201635 0.57 TLR7 (0.44) TMIGD3ADORA2AADORA2BADORA1

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-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed