SCHEMBL20326987

SCHEMBL20326987

Nc1nc2c(ncn2[C@H]2CC[C@@H](COP(=O)(O)OC3C[C@H](n4cnc5c(N)nccc54)O[C@@H]3COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ P2RY2 P41231 1/20 0.48
▸ P2RY4 P51582 1/20 0.48
▸ P2RY6 Q15077 1/20 0.48
▸ FUT5 Q11128 1/20 0.47
▸ P2RY1 P47900 1/20 0.46
▸ TERT O14746 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ NT5E P21589 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
SCHEMBL22524078 0.92 POLB (0.47) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20782763 0.92 POLB (0.58) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL21540009 0.90 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20782764 0.90 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20325223 0.90 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20324868 0.90 TERT (0.53) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL22524098 0.88 POLB (0.47) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL20324811 0.88 POLB (0.52) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL23679395 0.88 POLB (0.49) POLBP2RY2P2RY4P2RY6FUT5
SCHEMBL22765945 0.85 TERT (0.48) POLBP2RY2P2RY4P2RY6FUT5

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-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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