SCHEMBL6035387

SCHEMBL6035387

CCn1c(N)nc(=O)c2nc[nH]c21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.42
▸ ADORA2B P29275 8/20 0.42
▸ PNP P00491 1/20 0.42
▸ PDE4A P27815 12/20 0.41
▸ PDE4B Q07343 12/20 0.41
▸ PDE4C Q08493 12/20 0.41
▸ PDE4D Q08499 12/20 0.41
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29015261 0.84 ADORA2A (0.46) ADORA2AADORA2BPNPPDE4APDE4B
SCHEMBL5667528 0.82 ADORA2B (0.47) ADORA2AADORA2BPNPPDE4APDE4B
SCHEMBL48433 0.79 ATAD2 (0.38) ADORA2AADORA2BPNPPDE4APDE4B
SCHEMBL16494562 0.79 PNP (0.35) PNP
SCHEMBL7066008 0.79 PNP (0.66) ADORA2BPNPPDE4APDE4BPDE4C
SCHEMBL29026230 0.77 PNP (0.36) PNP
SCHEMBL11215532 0.76 PNP (0.36) ADORA2AADORA2BPNPADORA1
SCHEMBL7050396 0.76 PNP (0.36) PNP
SCHEMBL17580687 0.76 MEN1 (0.44) PNPBLMPDE3A
SCHEMBL6035390 0.76 PNP (0.63) ADORA2AADORA2BPNPPDE4APDE4B

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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