SCHEMBL21637056

SCHEMBL21637056

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)S)[C@@H](OS(=O)(=O)NC[C@@H]2CC[C@H](n3cnc4c(N)ncnc43)O2)[C@H]1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.48
▸ TAS1R1 Q7RTX1 2/20 0.48
▸ P2RY1 P47900 4/20 0.47
▸ P2RY2 P41231 3/20 0.47
▸ SRC P12931 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ DNPH1 O43598 1/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PDE3A Q14432 1/20 0.47

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
SCHEMBL21637003 0.93 NT5E (0.44) NT5E
SCHEMBL21637066 0.89 TAS1R3 (0.49) NT5ETAS1R3TAS1R1P2RY1P2RY2
SCHEMBL21637070 0.87 TAS1R3 (0.47) NT5ETAS1R3TAS1R1P2RY1P2RY2
SCHEMBL21637006 0.85 POLB (0.51) TAS1R3TAS1R1P2RY1P2RY2SRC
SCHEMBL21637072 0.83 TAS1R3 (0.44) NT5ETAS1R3TAS1R1P2RY1P2RY2
SCHEMBL21637060 0.82 ALDH1A1 (0.45) NT5EALDH1A1
SCHEMBL21637010 0.80 POLB (0.53) TAS1R3TAS1R1P2RY1P2RY2SRC
SCHEMBL19146900 0.80 NT5E (0.48) NT5ETAS1R3TAS1R1P2RY1P2RY2
SCHEMBL22352200 0.80 POLB (0.53) NT5ETAS1R3TAS1R1P2RY1P2RY2
SCHEMBL22352087 0.80 POLB (0.53) NT5ETAS1R3TAS1R1P2RY1P2RY2

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-2020016782-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2020-01-23 — — WO disclosed
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