SCHEMBL13519796

SCHEMBL13519796

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ ACVRL1 P37023 17/20 0.35
▸ ADORA2A P29274 1/20 0.32

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
SCHEMBL10101533 0.92 ADK (0.40) ADKPIK3CDACVRL1
SCHEMBL645255 0.91 ADK (0.42) ADKPIK3CDACVRL1ADORA2A
SCHEMBL10101534 0.86 ADK (0.40) ADKPIK3CDACVRL1
SCHEMBL10101532 0.86 ADK (0.41) ADKPIK3CDACVRL1
SCHEMBL13519810 0.81 PIK3CD (0.41) ADKPIK3CDACVRL1
SCHEMBL10101531 0.80 ADK (0.41) ADKPIK3CDACVRL1
SCHEMBL10101600 0.80 ADK (0.41) ADKPIK3CDACVRL1
SCHEMBL13519778 0.80 ACVRL1 (0.37) ACVRL1ADORA2A
SCHEMBL13519791 0.79 ADORA2A (0.34) PIK3CDACVRL1ADORA2A
SCHEMBL10101597 0.78 ADK (0.45) ADKPIK3CDACVRL1

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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