SCHEMBL22110552

SCHEMBL22110552

C=C[C@@]1(CO[Si](C)(C)C(C)(C)C)CCC(n2ccc(=O)[nH]c2=O)O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 6/20 0.47
▸ P2RY6 Q15077 1/20 0.32
▸ TOP2A P11388 5/20 0.32
▸ STAT3 P40763 2/20 0.31
▸ P2RY2 P41231 1/20 0.30
▸ P2RY4 P51582 1/20 0.30
▸ SLC28A1 O00337 1/20 0.30
▸ SLC28A2 O43868 1/20 0.30
▸ SLC29A1 Q99808 1/20 0.30
▸ SLC28A3 Q9HAS3 1/20 0.30
▸ P2RY14 Q15391 1/20 0.30

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
SCHEMBL20879386 0.85 DUT (0.51) DUTP2RY6TOP2AP2RY2P2RY4
SCHEMBL25567944 0.85 DUT (0.46) DUTP2RY6TOP2A
SCHEMBL24928459 0.83 DUT (0.49) DUTP2RY6TOP2AP2RY2P2RY4
SCHEMBL20879436 0.81 DUT (0.48) DUTP2RY6TOP2AP2RY2P2RY4
SCHEMBL22666153 0.81 DUT (0.48) DUTP2RY6TOP2AP2RY2P2RY4
SCHEMBL23808334 0.80 SLC28A1 (0.40) DUTP2RY6P2RY2P2RY4SLC28A1
SCHEMBL25401430 0.78 DUT (0.45) DUTP2RY6TOP2AP2RY14
SCHEMBL26273368 0.78 DUT (0.45) DUTP2RY6TOP2AP2RY14
SCHEMBL26289955 0.78 DUT (0.45) DUTP2RY6TOP2AP2RY14
SCHEMBL22241508 0.77 DUT (0.43) DUTP2RY6TOP2AP2RY2P2RY4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3738969-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES FOR USE IN TREATING PNEUMOVIRINAE VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-11-18 — — EP disclosed
EP-3183261-B1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES GILEAD SCIENCES INC (US) 2020-06-17 — — EP disclosed
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