SCHEMBL9687602

SCHEMBL9687602

C=C1CCCC1(O)n1cnc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 6/20 0.54
PI4K2B Q8TCG2 6/20 0.54
PI4K2A Q9BTU6 6/20 0.54
PI4KB Q9UBF8 6/20 0.54
GMPS P49915 1/20 0.48
ADORA2A P29274 6/20 0.46
ADORA3 P0DMS8 3/20 0.46
SLC28A1 O00337 1/20 0.46
ADORA1 P30542 3/20 0.45
ADORA2B P29275 1/20 0.45
NFKB1 P19838 2/20 0.41
BLM P54132 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
THPO P40225 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AHCY P23526 3/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9687595 1.00 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL27438888 0.77 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL23969763 0.72 PI4K2A (0.56) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL31256605 0.70 GMPS (0.56) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL9397052 0.69 PI4K2A (0.59) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL10650083 0.69 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL10517348 0.69 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL10517351 0.69 ADORA2A (0.47) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL7738504 0.69 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBGMPS
SCHEMBL10649999 0.68 PI4K2A (0.51) PI4KAPI4K2BPI4K2API4KBGMPS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155112-A Antiviral agents; Herpes virus GLAXO GROUP LIMITED (GB) 1992-10-13 US disclosed
EP-0430518-A2 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-06-05 EP disclosed