SCHEMBL9850201

SCHEMBL9850201

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.54
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
ADORA1 P30542 4/20 0.46
NT5E P21589 2/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
AHCY P23526 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DPP4 P27487 1/20 0.44
MEN1 O00255 1/20 0.44
SLC28A1 O00337 1/20 0.44
MAP3K7 O43318 1/20 0.44
SLC28A2 O43868 1/20 0.44
GAPDH P04406 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
STAT6 P42226 1/20 0.44

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
SCHEMBL9850195 1.00 BCHE (0.54) BCHEEGFRERBB2ADORA1NT5E
SCHEMBL9487327 0.89 BCHE (0.51) BCHEEGFRERBB2ADORA1NT5E
SCHEMBL12154782 0.89 AHCY (0.47) ADORA1AHCYADORA3SMN1; SMN2DPP4
SCHEMBL1798804 0.88 BCHE (0.54) BCHEADORA1AHCYADORA3SMN1; SMN2
SCHEMBL9850180 0.88 BCHE (0.42) BCHEEGFRERBB2ADORA1NT5E
SCHEMBL21393155 0.88 TYMP (0.43) BCHEEGFRERBB2ADORA1NT5E
SCHEMBL8887068 0.88 BCHE (0.54) BCHEADORA1AHCYADORA3SMN1; SMN2
SCHEMBL17889850 0.88 BCHE (0.54) BCHEADORA1AHCYADORA3SMN1; SMN2
SCHEMBL21859250 0.87 ADORA1 (0.45) ADORA1AHCYADORA3SMN1; SMN2DPP4
SCHEMBL22065156 0.87 ADORA1 (0.45) ADORA1AHCYADORA3SMN1; SMN2DPP4

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