SCHEMBL14134444

SCHEMBL14134444

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 4/20 0.49
▸ AHCY P23526 4/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ P2RX3 P56373 2/20 0.45
▸ P2RX2 Q9UBL9 2/20 0.45
▸ P2RY1 P47900 4/20 0.44
▸ SRC P12931 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RNASEL Q05823 1/20 0.44
▸ 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
▸ ADORA1 P30542 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
SCHEMBL14134547 0.88 AHCY (0.53) P2RY2AHCYADORA2AADORA2BP2RY1
SCHEMBL13396511 0.87 AHCY (0.64) P2RY2AHCYP2RX3P2RX2P2RY1
SCHEMBL16406702 0.78 P2RX3 (0.71) P2RY2P2RX3P2RX2P2RY1SRC
SCHEMBL16406149 0.78 P2RX3 (0.71) P2RY2P2RX3P2RX2P2RY1SRC
SCHEMBL16406148 0.78 P2RX3 (0.71) P2RY2P2RX3P2RX2P2RY1SRC
SCHEMBL14134511 0.77 ADORA2A (0.47) P2RY2AHCYADORA2AADORA2BP2RX3
SCHEMBL18269535 0.77 P2RX3 (0.73) P2RY2P2RX3P2RX2P2RY1SRC
SCHEMBL13396418 0.74 AHCY (0.73) P2RY2AHCYADORA2AADORA2BP2RY1
SCHEMBL3316378 0.74 AHCY (0.73) P2RY2AHCYADORA2AADORA2BP2RY1
SCHEMBL3316367 0.74 AHCY (0.73) P2RY2AHCYADORA2AADORA2BP2RY1

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
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