SCHEMBL10436010

SCHEMBL10436010

CC(C)(C)[Si](OC[C@@H]1CC[C@H](n2cnc3c(N)ncnc32)O1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.52
▸ ADORA1 P30542 4/20 0.47
▸ PI4KA P42356 4/20 0.43
▸ PI4K2B Q8TCG2 4/20 0.43
▸ PI4K2A Q9BTU6 4/20 0.43
▸ PI4KB Q9UBF8 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ ADA P00813 1/20 0.42
▸ ADORA2A P29274 4/20 0.41
▸ AHCY P23526 3/20 0.41

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
SCHEMBL10436009 1.00 BCHE (0.52) BCHEADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23211665 0.84 ADORA1 (0.46) BCHEADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9850184 0.84 BCHE (0.53) BCHEADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9850186 0.84 BCHE (0.53) BCHEADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13998327 0.83 BCHE (0.56) BCHEADORA1PI4KAPI4K2BPI4K2A
SCHEMBL26068423 0.83 POLB (0.56) ADORA1TP53ADORA2AAHCYNT5E
SCHEMBL22327447 0.83 POLB (0.56) ADORA1TP53ADORA2AAHCYNT5E
SCHEMBL7623380 0.83 POLB (0.56) ADORA1TP53ADORA2AAHCYNT5E
SCHEMBL30473748 0.83 POLB (0.56) ADORA1TP53ADORA2AAHCYNT5E
SCHEMBL15948689 0.82 ADORA1 (0.44) BCHEADORA1PI4KAPI4K2BPI4K2A

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-0352248-A1 Nucleoside derivatives Medivir Aktiebolag (SE) 1990-01-24 — — EP disclosed
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