SCHEMBL8176325

SCHEMBL8176325

Nc1ncnc2c1ncn2C1CC(F)(CO)CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 1/20 0.54
▸ PI4K2A Q9BTU6 4/20 0.53
▸ PI4KA P42356 3/20 0.53
▸ PI4K2B Q8TCG2 3/20 0.53
▸ PI4KB Q9UBF8 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ ADCY1 Q08828 1/20 0.53
▸ ADORA2A P29274 8/20 0.52
▸ ADORA3 P0DMS8 6/20 0.52
▸ SLC28A1 O00337 2/20 0.51
▸ SLC28A2 O43868 2/20 0.51

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
SCHEMBL8181655 1.00 ADA (0.54) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8176320 1.00 ADA (0.54) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8181652 1.00 ADA (0.54) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8176323 1.00 ADA (0.54) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8194232 0.87 ADA (0.39) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8194227 0.87 ADA (0.39) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8180042 0.87 ADA (0.39) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8180048 0.87 ADA (0.39) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8180046 0.87 ADA (0.39) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL8175285 0.86 ADA (0.38) ADAPI4K2API4KAPI4K2BPI4KB

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
US-6072051-A VIRICIDE AGAINST HEPATITIS B VIRUS WITH LOW TOXICITY CHONG KUN DANG CORP. (KR) 2000-06-06 — — US claimed
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