SCHEMBL20324723

SCHEMBL20324723

Nc1nc2c(nnn2[C@H]2C[C@H](F)[C@@H](COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ PNP P00491 6/20 0.42
▸ NT5E P21589 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ P2RY2 P41231 1/20 0.38
▸ P2RY4 P51582 1/20 0.38
▸ P2RY6 Q15077 1/20 0.38
▸ FUT5 Q11128 1/20 0.37
▸ KRAS P01116 9/20 0.37

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
SCHEMBL20324650 0.93 POLB (0.47) POLBPNPNT5ETGM2P2RY2
SCHEMBL20327594 0.90 POLB (0.43) POLBPNPNT5ETGM2P2RY2
SCHEMBL20324574 0.90 POLB (0.43) POLBPNPNT5ETGM2P2RY2
SCHEMBL22399465 0.83 PNP (0.44) POLBPNP
SCHEMBL20325289 0.83 POLB (0.45) POLB
SCHEMBL20325346 0.83 POLB (0.64) POLBNT5ETGM2P2RY2P2RY4
SCHEMBL20325348 0.83 POLB (0.64) POLBNT5ETGM2P2RY2P2RY4
SCHEMBL20324724 0.82 PNP (0.45) POLBPNPNT5ETGM2FUT5
SCHEMBL20327593 0.81 POLB (0.35) POLBNT5ETGM2P2RY2P2RY4
SCHEMBL20324564 0.80 P2RY2 (0.38) POLBNT5ETGM2P2RY2P2RY4

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