SCHEMBL14102400

SCHEMBL14102400

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/P(=O)(O)O)[C@@H](O)[C@@H]1F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 3/20 0.47
▸ P2RY2 P41231 1/20 0.45
▸ P2RY1 P47900 1/20 0.45
▸ P2RY6 Q15077 1/20 0.45
▸ DNPH1 O43598 2/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ ADORA2B P29275 3/20 0.44
▸ BMPR1B O00238 1/20 0.43
▸ ADORA1 P30542 1/20 0.42

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
SCHEMBL3320975 1.00 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL3320995 1.00 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL3314461 0.92 P2RY12 (0.53) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL3314438 0.92 P2RY12 (0.53) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL3314380 0.92 P2RY12 (0.53) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL30580422 0.91 P2RY12 (0.46) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13396790 0.90 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL13964749 0.85 ADORA2A (0.58) ADORA2AADORA2B
SCHEMBL19190143 0.85 ADORA2A (0.58) ADORA2AADORA2B
SCHEMBL13964740 0.85 ADORA2A (0.58) ADORA2AADORA2B

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-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — WO disclosed
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