SCHEMBL21132767

SCHEMBL21132767

O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](F)[C@@H](COP(=O)(O)O)O1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.56
▸ TYMP P19971 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALB P02768 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADORA3 P0DMS8 2/20 0.51
▸ POLB P06746 2/20 0.49
▸ P2RY1 P47900 1/20 0.48
▸ IMPDH2 P12268 4/20 0.47
▸ IMPDH1 P20839 2/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL20282682 0.89 TYMP (0.68) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL21417135 0.89 TYMP (0.68) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL21133316 0.86 P2RX3 (0.56) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL21133338 0.86 P2RX3 (0.56) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL20324606 0.85 POLB (0.67) POLBIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL9856344 0.85 POLB (0.67) POLBIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL21132941 0.85 POLB (0.67) POLBIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL9153227 0.85 LMNA (0.64) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL21133329 0.84 TYMP (0.46) P2RX3TYMPALDH1A1LMNAALB
SCHEMBL8616900 0.83 P2RY1 (0.66) POLBP2RY1TAS1R3TAS1R1

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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