SCHEMBL14304624

SCHEMBL14304624

C=C[C@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 15/20 0.59
▸ HIF1A Q16665 1/20 0.55
▸ TMEM97 Q5BJF2 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ DPP4 P27487 1/20 0.53

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
SCHEMBL23982477 1.00 AHCY (0.59) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL20419173 1.00 AHCY (0.59) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL24197306 0.86 AHCY (0.53) AHCYHIF1ATMEM97SIGMAR1
SCHEMBL3317095 0.82 AHCY (0.53) AHCYHIF1ATMEM97SIGMAR1
SCHEMBL3320956 0.82 AHCY (0.53) AHCYHIF1ATMEM97SIGMAR1
SCHEMBL13396504 0.82 AHCY (0.53) AHCYHIF1ATMEM97SIGMAR1
SCHEMBL14304622 0.81 AHCY (0.58) AHCYHIF1ATMEM97SIGMAR1DPP4
SCHEMBL23982397 0.80 ADK (0.54) —
Cordycepin SCHEMBL24220702 0.80 ADORA3 (0.63) AHCYDPP4
Cordycepin SCHEMBL21562220 0.80 ADORA3 (0.63) AHCYDPP4

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-2008005542-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC., (US) 2008-01-10 — — WO disclosed
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