SCHEMBL20692011

SCHEMBL20692011

COP(O)(=S)OCC1CCC(n2cnc3c(=O)[nH]c4nccn4c32)O1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ IMPDH2 P12268 6/20 0.35
▸ IMPDH1 P20839 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 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
SCHEMBL22340256 0.87 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1IMPDH2
SCHEMBL20692032 0.83 ALDH1A1 (0.38) ALDH1A1LMNAALBMAPK1IMPDH2
SCHEMBL20782639 0.82 ALDH1A1 (0.40) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL20692199 0.81 ALDH1A1 (0.31) ALDH1A1LMNAALBMAPK1
SCHEMBL20692218 0.81 ALDH1A1 (0.31) ALDH1A1LMNAALBMAPK1
SCHEMBL24060672 0.81 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1
SCHEMBL22340326 0.79 POLB (0.42) POLB
SCHEMBL22340218 0.74 IMPDH2 (0.44) IMPDH2IMPDH1POLBTAS1R3TAS1R1
SCHEMBL24680745 0.72 SLC29A1 (0.32) —
SCHEMBL22340207 0.72 POLB (0.41) IMPDH2IMPDH1POLBTAS1R3TAS1R1

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