SCHEMBL13519772

SCHEMBL13519772

C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1c1cc(C#N)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.41
▸ PIK3CD O00329 16/20 0.39
▸ RIPK1 Q13546 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
SCHEMBL646988 1.00 ADORA2A (0.41) ADORA2APIK3CDRIPK1
SCHEMBL644948 0.90 ADORA2A (0.41) ADORA2APIK3CD
SCHEMBL648257 0.88 ADORA2A (0.40) ADORA2A
SCHEMBL14140992 0.88 PIK3CD (0.41) PIK3CD
SCHEMBL13519782 0.86 ADORA2A (0.44) ADORA2APIK3CD
SCHEMBL13531953 0.85 ADORA2A (0.43) ADORA2APIK3CD
SCHEMBL7598953 0.85 ADORA2A (0.43) ADORA2APIK3CD
SCHEMBL13531963 0.85 ADORA2A (0.43) ADORA2A
SCHEMBL645160 0.85 ADORA2A (0.43) ADORA2A
SCHEMBL646044 0.85 ADORA2A (0.43) ADORA2APIK3CD

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
WO-2010002877-A2 BYCYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT (AU) 2010-01-07 — — WO disclosed
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