SCHEMBL20324650

SCHEMBL20324650

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ PNP P00491 7/20 0.43
▸ P2RY2 P41231 1/20 0.40
▸ P2RY4 P51582 1/20 0.40
▸ P2RY6 Q15077 1/20 0.40
▸ TK1 P04183 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TYMS P04818 1/20 0.39

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
SCHEMBL20324723 0.93 POLB (0.44) POLBPNPP2RY2P2RY4P2RY6
SCHEMBL20324574 0.92 POLB (0.43) POLBPNPP2RY2P2RY4P2RY6
SCHEMBL20327594 0.92 POLB (0.43) POLBPNPP2RY2P2RY4P2RY6
SCHEMBL22399465 0.85 PNP (0.44) POLBPNPTK1
SCHEMBL20324606 0.83 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL21132941 0.83 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL9856344 0.83 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL6421906 0.82 POLB (0.59) POLBPNPP2RY2P2RY4P2RY6
SCHEMBL8185378 0.82 POLB (0.59) POLBPNPP2RY2P2RY4P2RY6
SCHEMBL20326990 0.82 PNP (0.46) POLBPNPTK1NT5ETAS1R3

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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