SCHEMBL9501856

SCHEMBL9501856

CCN(CC)CC.Nc1ncnc2c1ncn2[C@]1(C(=O)c2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ADORA3 P0DMS8 5/20 0.42
ADORA2A P29274 4/20 0.42
PI4KA P42356 2/20 0.42
PI4K2B Q8TCG2 2/20 0.42
PI4K2A Q9BTU6 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
DPP4 P27487 1/20 0.42
MEN1 O00255 1/20 0.42
SLC28A1 O00337 1/20 0.42
MAP3K7 O43318 1/20 0.42
SLC28A2 O43868 1/20 0.42
GAPDH P04406 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
STAT6 P42226 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DOT1L Q8TEK3 1/20 0.42

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
SCHEMBL441536 0.95 EGFR (0.47) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL31644935 0.95 EGFR (0.47) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL30041710 0.92 DOT1L (0.45) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL2205117 0.87 EGFR (0.44) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL4451633 0.87 ADORA3 (0.43) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL7156326 0.87 EGFR (0.42) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL30406718 0.87 EGFR (0.42) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL337874 0.86 ADORA3 (0.45) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6425800 0.86 ADORA3 (0.44) EGFRADORA3ADORA2API4KAPI4K2B
SCHEMBL4916912 0.85 ADORA3 (0.48) EGFRADORA3ADORA2API4KAPI4K2B

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
EP-0541742-A1 2',5'-NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1993-05-19 EP disclosed
WO-1992021691-A1 2',5'-NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-12-10 WO disclosed