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SCHEMBL21540037

SCHEMBL21540037

N#CCCOP(=O)(O)OC1CC(n2cnc3c(=O)[nH]cnc32)OC1COP(=O)(OCCC#N)OC1C(CO)OC(n2cnc3c(=O)[nH]cnc32)[C@@H]1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ TYMP P19971 1/20 0.40
▸ P2RY1 P47900 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ FUT5 Q11128 1/20 0.38

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
SCHEMBL21417368 0.95 P2RX3 (0.46) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL17860558 0.93 P2RX3 (0.50) P2RX3ALDH1A1LMNAALBMAPK1
SCHEMBL17860568 0.90 P2RY12 (0.41) P2RX3TYMPP2RY1
SCHEMBL21417605 0.89 P2RX3 (0.41) P2RX3TYMPP2RY1ALDH1A1LMNA
SCHEMBL21539862 0.85 P2RX3 (0.45) P2RX3TYMPP2RY1ALDH1A1LMNA
SCHEMBL17860537 0.85 P2RX3 (0.45) P2RX3TYMPP2RY1ALDH1A1LMNA
SCHEMBL17860594 0.84 P2RX3 (0.43) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL17860557 0.82 P2RY12 (0.44) P2RX3P2RY1
SCHEMBL17860491 0.82 P2RY12 (0.39) TYMPP2RY1
SCHEMBL18310610 0.82 P2RY12 (0.39) TYMPP2RY1

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-3233882-B1 FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2019-10-30 — — EP disclosed
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