SCHEMBL21132940

SCHEMBL21132940

Nc1ncnc2c1NCN2C1C[C@H](OP(=O)(S)OC[C@H]2OC(n3cnc4c(=O)[nH]cnc43)CC2F)[C@@H](COP(=O)(O)S)O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ HPRT1 P00492 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ P2RY1 P47900 2/20 0.38
▸ TYMP P19971 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38
▸ ENPP1 P22413 2/20 0.38

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
SCHEMBL21133201 0.91 POLB (0.47) POLBP2RY1STING1
SCHEMBL21133335 0.90 POLB (0.47) POLBP2RY1ENPP1
SCHEMBL21133327 0.89 POLB (0.49) POLBP2RY1STING1ENPP1
SCHEMBL21133334 0.89 POLB (0.49) POLBP2RY1STING1ENPP1
SCHEMBL21132939 0.89 POLB (0.49) POLBP2RY1STING1ENPP1
SCHEMBL21133134 0.88 HPRT1 (0.52) POLBHPRT1P2RY1
SCHEMBL21132983 0.84 HPRT1 (0.48) POLBHPRT1P2RY1
SCHEMBL21132752 0.82 HPRT1 (0.46) HPRT1P2RX3P2RY1TYMP
SCHEMBL20326933 0.81 POLB (0.52) POLBP2RY1STING1ENPP1
SCHEMBL21132912 0.81 P2RY1 (0.39) POLBHPRT1P2RX3P2RY1TYMP

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
EP-3505527-A1 CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION Invivogen (FR) 2019-07-03 — — EP disclosed
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