SCHEMBL13519828

SCHEMBL13519828

C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1c1cc(-c2ncco2)c2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ ACVRL1 P37023 15/20 0.37
▸ ADORA2A P29274 1/20 0.32
▸ PRMT5 O14744 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
SCHEMBL10101529 0.92 PIK3CD (0.39) DOT1LPIK3CDACVRL1
SCHEMBL13519777 0.90 DOT1L (0.41) DOT1LPIK3CDACVRL1ADORA2A
SCHEMBL644945 0.90 DOT1L (0.41) DOT1LPIK3CDACVRL1ADORA2A
SCHEMBL10101528 0.87 PIK3CD (0.40) DOT1LPIK3CDACVRL1PRMT5
SCHEMBL10101525 0.86 PIK3CD (0.40) DOT1LPIK3CDACVRL1
SCHEMBL13519824 0.83 ADORA2A (0.37) PIK3CDACVRL1ADORA2A
SCHEMBL13519812 0.80 ACVRL1 (0.37) ACVRL1ADORA2A
SCHEMBL13519792 0.80 DOT1L (0.46) DOT1LPIK3CDACVRL1ADORA2APRMT5
SCHEMBL10101592 0.80 DOT1L (0.44) DOT1LPIK3CDACVRL1ADORA2APRMT5
SCHEMBL10101526 0.79 PIK3CD (0.40) DOT1LPIK3CDACVRL1PRMT5

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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