SCHEMBL22990428

SCHEMBL22990428

C=C[C@@H]1C[C@@H](COP(=O)(S)O[C@@H]2C[C@@H](COP(=O)(O)S)O[C@H]2n2cc(Cl)c3c(=O)[nH]cnc32)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.42
▸ FHIT P49789 4/20 0.40
▸ DTYMK P23919 2/20 0.40
▸ P2RY1 P47900 4/20 0.39
▸ P2RY2 P41231 3/20 0.39
▸ SRC P12931 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ DNPH1 O43598 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ TRPM2 O94759 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL22990460 0.91 STING1 (0.46) STING1FHITDTYMKP2RY1P2RY2
SCHEMBL22990461 0.91 STING1 (0.46) STING1FHITDTYMKP2RY1P2RY2
SCHEMBL22990422 0.79 RNASEL (0.43) DTYMKP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL22990429 0.78 DTYMK (0.49) STING1DTYMKP2RY1P2RY2SRC
SCHEMBL22907740 0.76 RNASEL (0.37) FHITDTYMKP2RY1P2RY2SRC
SCHEMBL22872953 0.76 RNASEL (0.49) FHITADORA1
SCHEMBL22990418 0.76 P2RY1 (0.62) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL22990442 0.76 P2RY1 (0.62) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL20224912 0.75 FHIT (0.44) FHITDTYMKP2RY1P2RY2SRC
SCHEMBL22352076 0.75 FUT5 (0.49) STING1DTYMKP2RY1P2RY2SRC

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-3512861-B1 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-02-17 — — EP disclosed
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