SCHEMBL9851908

SCHEMBL9851908

CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
GAA P10253 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL9851766 0.91 SLC29A1 (0.39) ADORA1ADORA3GAAPI4KAPI4K2B
SCHEMBL9851773 0.91 SLC29A1 (0.39) ADORA1ADORA3GAAPI4KAPI4K2B
SCHEMBL22065156 0.88 ADORA1 (0.45) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL20418959 0.88 ADORA1 (0.45) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL21859250 0.88 ADORA1 (0.45) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL29390219 0.88 ADORA1 (0.45) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL15355255 0.88 ADORA1 (0.45) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL9851784 0.88 BCHE (0.43) ADORA1ADORA3
SCHEMBL9851774 0.88 BCHE (0.43) ADORA1ADORA3
SCHEMBL9851844 0.88 ADORA3 (0.35) ADORA1ADORA3GAA

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-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed