SCHEMBL21637070

SCHEMBL21637070

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 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
▸ SRC P12931 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ P2RY1 P47900 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
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ P2RY11 Q96G91 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 0.95 NT5E (0.44) STING1NT5E
SCHEMBL21636985 0.92 POLB (0.48) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL21637066 0.92 TAS1R3 (0.49) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL21637057 0.88 POLB (0.50) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL21637056 0.87 NT5E (0.51) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL21637072 0.85 TAS1R3 (0.44) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL21637060 0.83 ALDH1A1 (0.45) STING1NT5E
SCHEMBL20324534 0.82 STING1 (0.47) STING1NT5E
SCHEMBL20326954 0.82 STING1 (0.47) STING1NT5E
SCHEMBL20326964 0.82 RNASEL (0.48) NT5E

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
Send feedback