SCHEMBL20692199

SCHEMBL20692199

COP(O)(=S)OCC1CCC(n2cnc3c(O)nc4nccn4c32)O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ P2RY1 P47900 1/20 0.30
▸ P2RY11 Q96G91 1/20 0.30

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
SCHEMBL20692218 1.00 ALDH1A1 (0.31) ALDH1A1LMNAALBMAPK1P2RY1
SCHEMBL20691320 0.85 NT5E (0.41) LMNAP2RY1
SCHEMBL20692222 0.82 ALDH1A1 (0.32) ALDH1A1LMNAALBMAPK1
SCHEMBL20692011 0.81 ALDH1A1 (0.37) ALDH1A1LMNAALBMAPK1
SCHEMBL24680745 0.80 SLC29A1 (0.32) —
SCHEMBL20691300 0.77 FHIT (0.38) P2RY1P2RY11
SCHEMBL20691945 0.72 BCHE (0.50) ALDH1A1MAPK1P2RY1P2RY11
SCHEMBL20691455 0.72 BCHE (0.50) ALDH1A1MAPK1P2RY1P2RY11
SCHEMBL24679905 0.71 RNASEL (0.40) P2RY1P2RY11
SCHEMBL22340256 0.67 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP disclosed
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
Send feedback