SCHEMBL9850180

SCHEMBL9850180

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
NT5E P21589 2/20 0.40
ADORA1 P30542 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.35
SLC29A1 Q99808 1/20 0.35

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
SCHEMBL9851774 0.89 BCHE (0.43) BCHENT5EADORA1ADORA3SLC29A1
SCHEMBL9851784 0.89 BCHE (0.43) BCHENT5EADORA1ADORA3SLC29A1
SCHEMBL9850195 0.88 BCHE (0.54) BCHENT5EADORA1EGFRERBB2
SCHEMBL21393155 0.88 TYMP (0.43) BCHENT5EADORA1EGFRERBB2
SCHEMBL9850201 0.88 BCHE (0.54) BCHENT5EADORA1EGFRERBB2
SCHEMBL9851908 0.87 ADORA1 (0.35) ADORA1ADORA3GAA
SCHEMBL9850142 0.87 BCHE (0.42) BCHENT5EADORA1EGFRERBB2
SCHEMBL9850147 0.87 BCHE (0.42) BCHENT5EADORA1EGFRERBB2
SCHEMBL3067 0.82 EGFR (0.46) BCHEADORA1EGFRERBB2TP53
SCHEMBL9447631 0.82 EGFR (0.46) BCHEADORA1EGFRERBB2TP53

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-0428109-A2 Deoxyfluoronucleoside process Bristol-Myers Squibb Company (US) 1991-05-22 EP disclosed