SCHEMBL20326933

SCHEMBL20326933

Nc1nc2c(ncn2[C@H]2C[C@H](F)[C@@H](COP(=O)(S)OC3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ TERT O14746 1/20 0.49
▸ STING1 Q86WV6 7/20 0.48
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ ENPP1 P22413 1/20 0.46
▸ P2RY1 P47900 1/20 0.46

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
SCHEMBL21540039 0.94 POLB (0.49) POLBTERTSTING1
SCHEMBL20325289 0.93 POLB (0.45) POLBTERTSTING1ENPP1P2RY1
SCHEMBL22434625 0.92 POLB (0.62) POLBTERTP2RY2P2RY4P2RY6
SCHEMBL20324893 0.92 POLB (0.49) POLBTERTSTING1P2RY2P2RY4
SCHEMBL21133334 0.91 POLB (0.49) POLBSTING1P2RY2ENPP1P2RY1
SCHEMBL21133327 0.91 POLB (0.49) POLBSTING1P2RY2ENPP1P2RY1
SCHEMBL21132939 0.91 POLB (0.49) POLBSTING1P2RY2ENPP1P2RY1
SCHEMBL20325358 0.91 STING1 (0.49) POLBSTING1
SCHEMBL20326953 0.91 STING1 (0.49) POLBSTING1
SCHEMBL22434567 0.90 POLB (0.51) POLBTERTSTING1P2RY2P2RY4

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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