SCHEMBL20908500

SCHEMBL20908500

O=P1(O)OC[C@H]2O[C@@H](n3cnc4c3ncn3ccnc43)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c3ncn3ccnc43)[C@H](O)[C@@H]2O1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 11/20 0.59
▸ PDE4A P27815 5/20 0.59
▸ PDE4B Q07343 5/20 0.59
▸ PDE4C Q08493 5/20 0.59
▸ PDE4D Q08499 5/20 0.59
▸ LMNA P02545 2/20 0.59
▸ GMNN O75496 1/20 0.59
▸ RAPGEF3 O95398 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ RAPGEF4 Q8WZA2 1/20 0.59
▸ PDE3B Q13370 1/20 0.53
▸ PDE3A Q14432 1/20 0.53

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
SCHEMBL20908440 0.93 STING1 (0.72) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL20908833 0.93 STING1 (0.67) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL20908445 0.93 STING1 (0.72) STING1
SCHEMBL20908471 0.90 STING1 (0.65) STING1
SCHEMBL24323009 0.86 STING1 (0.58) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL20908476 0.85 STING1 (0.82) STING1PDE3BPDE3A
SCHEMBL20908441 0.85 STING1 (0.74) STING1
SCHEMBL20908716 0.85 STING1 (0.74) STING1
SCHEMBL20547873 0.83 STING1 (0.77) STING1LMNAGMNNRAPGEF3BLM
SCHEMBL23476915 0.83 STING1 (0.86) STING1LMNAGMNNRAPGEF3BLM

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
WO-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
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