SCHEMBL14134547

SCHEMBL14134547

Nc1ccnc2c1ncn2[C@@H]1O[C@H](/C=C(\F)P(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 13/20 0.53
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ DNMT1 P26358 1/20 0.47
▸ DNMT3B Q9UBC3 1/20 0.47
▸ HIF1A Q16665 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43

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
SCHEMBL14134444 0.88 P2RY2 (0.49) AHCYADORA2AADORA2BDNPH1PRKAB2
SCHEMBL13396418 0.85 AHCY (0.73) AHCYADORA2AADORA2BHIF1ATMEM97
SCHEMBL3316367 0.85 AHCY (0.73) AHCYADORA2AADORA2BHIF1ATMEM97
SCHEMBL3316378 0.85 AHCY (0.73) AHCYADORA2AADORA2BHIF1ATMEM97
SCHEMBL14134335 0.76 ADORA2A (0.52) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL13396506 0.75 P2RY12 (0.52) AHCYADORA2AADORA2BDNPH1P2RY2
SCHEMBL3317321 0.75 P2RY12 (0.52) AHCYADORA2AADORA2BDNPH1P2RY2
SCHEMBL3317307 0.75 P2RY12 (0.52) AHCYADORA2AADORA2BDNPH1P2RY2
SCHEMBL14928636 0.74 DNPH1 (0.73) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL15249230 0.74 DNPH1 (0.73) DNPH1PRKAB2TRPM2LDHAADRB2

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-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
Send feedback