SCHEMBL21636985

SCHEMBL21636985

Nc1nc2c(ncn2[C@H]2C[C@@H](F)[C@H](OS(=O)(=O)NC[C@@H]3CC[C@H](n4cnc5c(N)ncnc54)O3)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ STING1 Q86WV6 6/20 0.43
▸ P2RY2 P41231 2/20 0.43
▸ P2RY1 P47900 2/20 0.43
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PDE3A Q14432 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
SCHEMBL21637070 0.92 TAS1R3 (0.47) STING1P2RY2P2RY1TAS1R3TAS1R1
SCHEMBL21637057 0.91 POLB (0.50) POLBSTING1P2RY2P2RY1TAS1R3
SCHEMBL21637003 0.87 NT5E (0.44) POLBSTING1
SCHEMBL21637066 0.84 TAS1R3 (0.49) STING1P2RY2P2RY1TAS1R3TAS1R1
SCHEMBL21637078 0.83 POLB (0.43) POLBSTING1
SCHEMBL21637010 0.82 POLB (0.53) POLBP2RY2P2RY1TAS1R3TAS1R1
SCHEMBL21637075 0.82 ALDH1A1 (0.48) POLBSTING1P2RY2P2RY1TAS1R3
SCHEMBL21637020 0.81 POLB (0.50) POLBP2RY2P2RY1TAS1R3TAS1R1
SCHEMBL20325223 0.80 TERT (0.53) POLBP2RY2P2RY4P2RY6
SCHEMBL20324868 0.80 TERT (0.53) POLBP2RY2P2RY4P2RY6

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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