SCHEMBL13519810

SCHEMBL13519810

C[C@@]1(F)C[C@@H](CO)O[C@H]1c1cc(-c2nccs2)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.41
▸ ACVRL1 P37023 15/20 0.37
▸ ADK P55263 1/20 0.36

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
SCHEMBL10101534 0.82 ADK (0.40) PIK3CDACVRL1ADK
SCHEMBL10101533 0.81 ADK (0.40) PIK3CDACVRL1ADK
SCHEMBL13519796 0.81 ADK (0.40) PIK3CDACVRL1ADK
SCHEMBL7602863 0.81 ACVRL1 (0.43) PIK3CDACVRL1ADK
SCHEMBL10101532 0.80 ADK (0.41) PIK3CDACVRL1ADK
SCHEMBL645255 0.80 ADK (0.42) PIK3CDACVRL1ADK
SCHEMBL14642637 0.79 PIK3CD (0.41) PIK3CDACVRL1ADK
SCHEMBL881453 0.75 POLRMT (0.34) ACVRL1
SCHEMBL881726 0.75 ADORA2A (0.31) ACVRL1
SCHEMBL10101600 0.75 ADK (0.41) PIK3CDACVRL1ADK

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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