SCHEMBL7980975

SCHEMBL7980975

OCC(CO)CCn1cnc2ncnc(O)c21

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
SRC P12931 1/20 0.37
ADORA1 P30542 1/20 0.30
P2RY1 P47900 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
SCHEMBL13807680 0.70 CSNK2A2 (0.47) ADORA2ASRC
SCHEMBL7981126 0.69 ADORA2A (0.36) ADORA2ASRCADORA1P2RY1
SCHEMBL7984911 0.68 KDM4E (0.35) ADORA2ASRC
SCHEMBL7812402 0.68 ADORA2A (0.46) ADORA2A
SCHEMBL2414858 0.68 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL7984151 0.67 BLM (0.46)
SCHEMBL7981049 0.66 TLR7 (0.39) ADORA2ASRC
SCHEMBL4088282 0.66 ADORA2A (0.70) ADORA2AADORA1
SCHEMBL7977956 0.65 KDM4E (0.49) ADORA2AP2RY1
Penciclovir SCHEMBL29357169 0.64 CCNE1 (0.46) ADORA2ASRCADORA1P2RY1

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-2001094348-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-12-13 WO disclosed