SCHEMBL21133326

SCHEMBL21133326

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALB P02768 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADORA3 P0DMS8 2/20 0.45
▸ TYMP P19971 3/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ HPRT1 P00492 2/20 0.42
▸ STING1 Q86WV6 2/20 0.42
▸ PNP P00491 1/20 0.41

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
SCHEMBL21133338 0.92 P2RX3 (0.56) P2RX3ALDH1A1LMNAALBMAPK1
SCHEMBL21133316 0.92 P2RX3 (0.56) P2RX3ALDH1A1LMNAALBMAPK1
SCHEMBL20324718 0.89 P2RX3 (0.55) P2RX3ALDH1A1LMNAALBMAPK1
SCHEMBL20324728 0.85 P2RX3 (0.41) P2RX3ALDH1A1LMNAALBMAPK1
SCHEMBL20324719 0.85 P2RX3 (0.41) P2RX3ALDH1A1LMNAALBMAPK1
SCHEMBL9850102 0.84 ALDH1A1 (0.64) P2RX3ALDH1A1LMNAALBMAPK1
SCHEMBL22524006 0.83 P2RY1 (0.56) P2RX3ALDH1A1
SCHEMBL20324624 0.83 P2RY1 (0.56) P2RX3ALDH1A1
SCHEMBL21540024 0.83 P2RY1 (0.56) P2RX3ALDH1A1
SCHEMBL20224841 0.83 P2RY1 (0.56) P2RX3ALDH1A1

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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