SCHEMBL6035390

SCHEMBL6035390

CCn1c(N)nc(=O)c2[nH]cnc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.63
▸ ADORA2A P29274 14/20 0.58
▸ ADORA2B P29275 9/20 0.58
▸ PDE4A P27815 13/20 0.56
▸ PDE4B Q07343 13/20 0.56
▸ PDE4C Q08493 13/20 0.56
▸ PDE4D Q08499 13/20 0.56
▸ ADORA3 P0DMS8 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL563300 0.84 ADORA2B (0.63) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL29015263 0.83 ADORA2A (0.61) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL5667530 0.80 ADORA2A (0.61) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL48434 0.78 ATAD2 (0.54) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL6035387 0.76 ADORA2A (0.42) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL874737 0.76 ADORA2A (0.56) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL11215534 0.75 PNP (0.53) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL16494563 0.75 PNP (0.52) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL28633086 0.75 PNP (0.52) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL29203684 0.74 PNP (0.49) PNPADORA2AADORA2BPDE4APDE4B

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
US-20060141523-A1 Integrated method for PCR cleanup and oligonucleotide removal APPLERA CORPORATION (US) 2006-06-29 — — US disclosed
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