SCHEMBL17612664

SCHEMBL17612664

Cc1c(N)ncnc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.53
▸ HSPA5 P11021 2/20 0.39
▸ HSPA8 P11142 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ADORA3 P0DMS8 3/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SLC28A1 O00337 1/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ SLC28A2 O43868 1/20 0.38
▸ GAPDH P04406 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ STAT6 P42226 1/20 0.38
▸ PI4KA P42356 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17612654 0.93 ADK (0.53) ADKHSPA5HSPA8RXFP1ADORA3
SCHEMBL17612655 0.93 ADK (0.53) ADKHSPA5HSPA8RXFP1ADORA3
SCHEMBL17612652 0.89 ADK (0.65) ADKHSPA5HSPA8RXFP1ADORA3
SCHEMBL17612669 0.89 ADK (0.65) ADKHSPA5HSPA8RXFP1ADORA3
SCHEMBL17612673 0.89 ADK (0.65) ADKHSPA5HSPA8RXFP1ADORA3
SCHEMBL23618698 0.85 ADK (0.47) ADKRXFP1ADORA3HIF1AADORA2A
SCHEMBL4863668 0.81 ADK (0.82) ADKKMT2A
SCHEMBL12870452 0.81 ADK (0.82) ADKKMT2A
SCHEMBL12870457 0.81 ADK (0.82) ADKKMT2A
SCHEMBL17612674 0.80 ADK (0.52) ADKHSPA5HSPA8RXFP1ADORA3

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
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 — — US disclosed
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