SCHEMBL19242543

SCHEMBL19242543

C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@]1(I)c1ccc2c(N)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.34
▸ TMPRSS2 O15393 1/20 0.34
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ POLRMT O00411 1/20 0.31

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
SCHEMBL881391 0.87 ADORA2A (0.35) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL881455 0.86 ADORA2A (0.37) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL14996141 0.86 ADORA2A (0.37) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL881677 0.83 TMPRSS2 (0.40) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL881450 0.83 ADORA2A (0.33) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL19242542 0.83 ADORA2A (0.34) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL16519851 0.81 ADORA2A (0.38) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL12243240 0.81 ADORA2A (0.38) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL12243128 0.79 ADORA2A (0.38) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL12393219 0.79 ADORA2A (0.38) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A

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
EP-2752422-B1 Stereoselective synthesis of phosphorus containing actives GILEAD PHARMASSET LLC (US) 2017-08-16 — — EP disclosed
Send feedback