SCHEMBL13519792

SCHEMBL13519792

Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cc(-c3ncco3)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.46
▸ PIK3CD O00329 2/20 0.39
▸ ACVRL1 P37023 11/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ PDE2A O00408 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ CD99 P14209 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ DPP4 P27487 1/20 0.31

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
SCHEMBL10101526 0.90 PIK3CD (0.40) DOT1LPIK3CDACVRL1PRMT5
SCHEMBL10101590 0.90 PIK3CD (0.40) DOT1LPIK3CDACVRL1PRMT5
SCHEMBL10101592 0.87 DOT1L (0.44) DOT1LPIK3CDACVRL1PRMT5ADORA3
SCHEMBL14642596 0.81 PIK3CD (0.41) DOT1LPIK3CDACVRL1
SCHEMBL13519789 0.81 LGALS3 (0.35) DOT1LACVRL1PDE2AADORA3ADORA2A
SCHEMBL10101528 0.80 PIK3CD (0.40) DOT1LPIK3CDACVRL1PRMT5
SCHEMBL13519828 0.80 DOT1L (0.41) DOT1LPIK3CDACVRL1PRMT5ADORA2A
SCHEMBL13519777 0.79 DOT1L (0.41) DOT1LPIK3CDACVRL1ADORA2A
SCHEMBL644945 0.79 DOT1L (0.41) DOT1LPIK3CDACVRL1ADORA2A
SCHEMBL14642635 0.77 PIK3CD (0.42) DOT1LPIK3CDACVRL1

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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