SCHEMBL21454902

SCHEMBL21454902

Nc1nc(N)c2ncn([C@H]3CC[C@@H](COP(=O)(O)O[C@H]4CC(C(O)CO)OC4n4cnc5c(N)ncnc54)O3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 5/20 0.45
▸ P2RY1 P47900 3/20 0.43
▸ P2RY2 P41231 2/20 0.43
▸ SRC P12931 1/20 0.43
▸ P2RX1 P51575 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ P2RX2 Q9UBL9 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL21454925 0.90 FUT5 (0.47) —
SCHEMBL21454874 0.81 FUT5 (0.50) RNASEL
SCHEMBL21454900 0.81 FUT5 (0.50) RNASEL
SCHEMBL21454721 0.80 FUT5 (0.48) —
SCHEMBL21637068 0.79 POLB (0.48) RNASELP2RY1
SCHEMBL20325237 0.78 RNASEL (0.48) RNASELP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21540016 0.78 ALDH1A1 (0.51) RNASELP2RY1P2RY2SRCALDH1A1
SCHEMBL25582525 0.77 RNASEL (0.57) RNASELP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL20692157 0.77 P2RY1 (0.54) P2RY1P2RY2SRCP2RX1P2RX3
SCHEMBL22352146 0.77 P2RY1 (0.54) P2RY1P2RY2SRCP2RX1P2RX3

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-2019193542-A1 2'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-10-10 — — WO disclosed
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