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SCHEMBL20324550

SCHEMBL20324550

Nc1nc2c(ncn2[C@H]2C[C@@H](F)[C@@H](COP(=O)(S)OC[C@H]3C[C@H](n4cnc5c(N)ncnc54)OC3COP(=O)(O)S)S2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ STING1 Q86WV6 13/20 0.44
▸ P2RY2 P41231 1/20 0.43
▸ P2RY4 P51582 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ FHIT P49789 2/20 0.42
▸ NT5E P21589 1/20 0.42

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
SCHEMBL20325253 0.84 NT5E (0.48) POLBSTING1P2RY2P2RY4P2RY6
SCHEMBL20326933 0.83 POLB (0.52) POLBSTING1P2RY2P2RY4P2RY6
SCHEMBL20327610 0.83 NT5E (0.48) STING1FHITNT5E
SCHEMBL20326983 0.82 STING1 (0.40) POLBSTING1
SCHEMBL20324745 0.82 STING1 (0.39) POLBSTING1
SCHEMBL20324552 0.82 STING1 (0.39) POLBSTING1
SCHEMBL20326953 0.81 STING1 (0.49) POLBSTING1NT5E
SCHEMBL20325358 0.81 STING1 (0.49) POLBSTING1NT5E
SCHEMBL21540039 0.80 POLB (0.49) POLBSTING1
SCHEMBL22434625 0.80 POLB (0.62) POLBP2RY2P2RY4P2RY6NT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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