SCHEMBL31472972

SCHEMBL31472972

CC(C#N)[C@@]1(n2cnc3c(O)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL31170697 0.88 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL27597373 0.88 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL4425844 0.84 PRKAG1 (0.39) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL31421676 0.81 ADORA3 (0.39)
SCHEMBL12541776 0.81 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL41364 0.78 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL27541459 0.77 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL7435441 0.77 ADORA3 (0.50) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL29721329 0.77 ADORA3 (0.50) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL30302050 0.76 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBADORA1

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
CN-115125292-B Single-base resolution positioning analysis method for inosine modification in endonuclease-assisted RNA 武汉大学 2025-02-07 CN disclosed