SCHEMBL23641845

SCHEMBL23641845

O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)S)[C@@H](O)[C@H]1OP(=O)(S)OC[C@@H]1CC[C@H](n2cc3c4c(ncnc42)NCCC3)O1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.44
▸ RNASEL Q05823 8/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL23641838 0.88 RNASEL (0.41) RNASEL
SCHEMBL23641810 0.88 RNASEL (0.41) RNASEL
SCHEMBL23641743 0.88 TAS1R3 (0.40) P2RX3RNASEL
SCHEMBL23641673 0.85 P2RX3 (0.38) P2RX3RNASEL
SCHEMBL24191549 0.84 RNASEL (0.34) RNASEL
SCHEMBL20224939 0.83 RNASEL (0.49) RNASEL
SCHEMBL24191193 0.82 RNASEL (0.52) RNASEL
SCHEMBL21417491 0.81 P2RY1 (0.51) P2RX3RNASELALDH1A1
SCHEMBL23641683 0.81 — —
SCHEMBL23641858 0.80 AURKA (0.31) —

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-3848054-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF Daiichi Sankyo Company, Limited (JP) 2021-07-14 — — EP disclosed
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