SCHEMBL20224880

SCHEMBL20224880

CC1(COP(=O)(O)O[C@@H]2CC(COP(=O)(O)S)OC2n2cc(F)c3c(=O)[nH]cnc32)CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.38
▸ P2RX1 P51575 2/20 0.38
▸ P2RX3 P56373 2/20 0.38
▸ P2RX4 Q99571 2/20 0.38
▸ RNASEL Q05823 1/20 0.38
▸ STING1 Q86WV6 1/20 0.36

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
SCHEMBL20224913 0.92 DTYMK (0.38) DTYMKP2RX1P2RX3P2RX4RNASEL
SCHEMBL20224825 0.87 DTYMK (0.40) DTYMKRNASEL
SCHEMBL22990422 0.86 RNASEL (0.43) DTYMKP2RX1P2RX3P2RX4RNASEL
SCHEMBL20224826 0.84 DNPH1 (0.39) DTYMKRNASEL
SCHEMBL22990366 0.84 RNASEL (0.45) DTYMKRNASEL
SCHEMBL20325355 0.80 POLB (0.44) DTYMKP2RX1P2RX3P2RX4STING1
SCHEMBL20225032 0.80 DTYMK (0.43) DTYMKRNASEL
SCHEMBL21298878 0.77 P2RX3 (0.47) P2RX1P2RX3P2RX4
SCHEMBL20325328 0.77 P2RX3 (0.47) P2RX1P2RX3P2RX4
SCHEMBL20224912 0.77 FHIT (0.44) DTYMKP2RX1P2RX3P2RX4

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-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — WO disclosed
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