SCHEMBL16502887

SCHEMBL16502887

C[C@@]1(O)[C@H](O)[C@@H](COP=O)O[C@H]1c1cnc2c(N)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ PRMT5 O14744 7/20 0.35
▸ WDR77 Q9BQA1 7/20 0.35
▸ ATG7 O95352 1/20 0.32
▸ STING1 Q86WV6 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
SCHEMBL12253963 0.88 DNPH1 (0.41) —
SCHEMBL12253777 0.85 ADORA2A (0.47) ADORA2APRMT5WDR77
SCHEMBL13392121 0.85 ADORA2A (0.47) ADORA2APRMT5WDR77
SCHEMBL12254003 0.84 P2RY2 (0.45) —
SCHEMBL12306916 0.80 PRMT5 (0.33) ADORA2APRMT5WDR77STING1
SCHEMBL12253960 0.77 FAP (0.37) ATG7STING1
SCHEMBL12305472 0.77 FAP (0.36) —
SCHEMBL15682898 0.76 P2RX1 (0.46) —
SCHEMBL15682919 0.76 ADORA2A (0.41) ADORA2A
SCHEMBL16502871 0.75 ADK (0.35) PRMT5WDR77

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
EP-2280973-B1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2012-11-28 — — EP disclosed
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