SCHEMBL9023387

SCHEMBL9023387

C[C@@]1(n2cnc3c(N)ncnc32)O/C(=C/F)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GMPS P49915 1/20 0.49
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
ADORA2A P29274 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
SLC28A1 O00337 1/20 0.44
AHCY P23526 2/20 0.43

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
SCHEMBL9023489 0.76 EGFR (0.43) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL20143496 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL16258664 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL13010067 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL18680910 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL29375670 0.71 PI4KA (0.47) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL41360 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL3794703 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL13061814 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB
SCHEMBL18537398 0.71 PI4KA (0.55) GMPSPI4KAPI4K2BPI4K2API4KB

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-0304889-B1 Novel aristeromycin/adenosine derivatives MERRELL PHARMA INC (US) 1996-08-14 EP disclosed