SCHEMBL23969763

SCHEMBL23969763

CC1CCC1(O)n1cnc2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4K2A Q9BTU6 6/20 0.56
PI4KA P42356 5/20 0.56
PI4K2B Q8TCG2 5/20 0.56
PI4KB Q9UBF8 5/20 0.56
ADORA2A P29274 6/20 0.48
ADORA3 P0DMS8 3/20 0.46
SLC28A1 O00337 1/20 0.46
ADORA1 P30542 3/20 0.46
ADORA2B P29275 1/20 0.46
AHCY P23526 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
METTL3 Q86U44 1/20 0.44
METTL14 Q9HCE5 1/20 0.44
PRMT5 O14744 1/20 0.44

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
SCHEMBL27438888 0.76 PI4KA (0.67) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL6045856 0.73 PI4K2A (0.49) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL6045694 0.73 PI4K2A (0.49) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL21311217 0.73 ADORA2A (0.47) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL9687595 0.72 PI4KA (0.54) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL9687602 0.72 PI4KA (0.54) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL21311216 0.71 ADORA2A (0.47) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL25521510 0.71 ADORA3 (0.53) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL23025515 0.71 ADORA3 (0.53) PI4K2API4KAPI4K2BPI4KBADORA2A
SCHEMBL8094883 0.71 ADORA2A (0.50) PI4K2API4KAPI4K2BPI4KBADORA2A

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-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed