SCHEMBL1082007

SCHEMBL1082007

CCCCCn1cnc2c(S)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.61
CYP1A2 P05177 2/20 0.58
TSHR P16473 1/20 0.58
ADORA1 P30542 5/20 0.53
ADORA2B P29275 1/20 0.53
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
TLR7 Q9NYK1 6/20 0.46
TLR9 Q9NR96 1/20 0.46
HTR2C P28335 1/20 0.45
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
TMIGD3 P0DMS9 2/20 0.42
ADCY5 O95622 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2115918 0.95 ADORA2A (0.68) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL8467559 0.83 ADORA2A (0.60) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL2116000 0.82 ADORA2A (0.64) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL10589823 0.81 ADORA2A (0.61) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL4551803 0.81 ADORA2A (0.91) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL23228230 0.80 ADORA2A (0.88) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL28176129 0.80 ADORA2A (0.88) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL28228476 0.80 ADORA2A (0.88) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL21469779 0.80 ADORA2A (0.88) ADORA2ACYP1A2TSHRADORA1ADORA2B
SCHEMBL1741560 0.80 ADORA2A (0.88) ADORA2ACYP1A2TSHRADORA1ADORA2B

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-1534255-B1 PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES PHARMASSET INC (US) 2011-01-19 EP claimed