SCHEMBL21132912

SCHEMBL21132912

CN/C=N\C1=C(C=O)NCN1[C@H]1C[C@H](OP(=O)(S)OCC2O[C@@H](n3cnc4c(=O)[nH]cnc43)CC2F)C(COP(=O)(O)S)O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 1/20 0.39
▸ P2RX3 P56373 1/20 0.36
▸ TYMP P19971 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPRT1 P00492 1/20 0.32

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
SCHEMBL21132940 0.81 POLB (0.40) P2RY1P2RX3TYMPPOLBHPRT1
SCHEMBL21133327 0.80 POLB (0.49) P2RY1POLB
SCHEMBL21133334 0.80 POLB (0.49) P2RY1POLB
SCHEMBL21132939 0.80 POLB (0.49) P2RY1POLB
SCHEMBL21132752 0.74 HPRT1 (0.46) P2RY1P2RX3TYMPADORA3HPRT1
SCHEMBL21132767 0.74 P2RX3 (0.56) P2RY1P2RX3TYMPPOLBADORA3
SCHEMBL21133201 0.73 POLB (0.47) P2RY1POLB
SCHEMBL20326933 0.73 POLB (0.52) P2RY1POLB
SCHEMBL21539899 0.71 ALDH1A1 (0.49) P2RY1POLBALDH1A1LMNAALB
SCHEMBL20325346 0.70 POLB (0.64) POLBHPRT1

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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