SCHEMBL20324882

SCHEMBL20324882

Nc1ncnc2c1ccn2[C@@H]1OC(COP(=O)(O)O)[C@@H](OP(=O)(O)OCC2CC[C@H](n3cnc4c(=O)[nH]cnc43)O2)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 12/20 0.56
▸ P2RX3 P56373 1/20 0.50
▸ DNPH1 O43598 1/20 0.50
▸ PRKAB2 O43741 1/20 0.50
▸ TRPM2 O94759 1/20 0.50
▸ LDHA P00338 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ FBP1 P09467 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ P2RY2 P41231 1/20 0.50
▸ P2RY1 P47900 1/20 0.50
▸ PRKAG1 P54619 1/20 0.50
▸ PRKAA2 P54646 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ PRKAA1 Q13131 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.50

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
SCHEMBL20327560 0.91 RNASEL (0.57) RNASELP2RY2
SCHEMBL21417134 0.88 RNASEL (0.70) RNASEL
SCHEMBL20325281 0.88 ALDH1A1 (0.46) RNASELP2RX3
SCHEMBL20325230 0.86 STING1 (0.46) RNASELP2RX3
SCHEMBL20324732 0.85 P2RY2 (0.52) RNASELP2RY2TAS1R3TAS1R1
SCHEMBL20325277 0.85 RNASEL (0.61) RNASELDNPH1PRKAB2TRPM2LDHA
SCHEMBL20324735 0.84 RNASEL (0.62) RNASELDNPH1PRKAB2TRPM2LDHA
SCHEMBL21417372 0.83 RNASEL (0.66) RNASELDNPH1PRKAB2TRPM2LDHA
SCHEMBL21539898 0.83 ALDH1A1 (0.51) RNASELDNPH1PRKAB2TRPM2LDHA
SCHEMBL21540035 0.83 ALDH1A1 (0.51) RNASELDNPH1PRKAB2TRPM2LDHA

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
WO-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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