SCHEMBL20324585

SCHEMBL20324585

Nc1ncnn2c([C@H]3C[C@H](O[PH](=O)O)[C@@H](COP(=O)(O)O)O3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ P2RY2 P41231 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ P2RY11 Q96G91 1/20 0.38

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
SCHEMBL20324914 0.83 P2RY1 (0.33) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL24539018 0.80 POLB (0.41) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL20325270 0.79 TAS1R3 (0.38) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL21637014 0.79 DNPH1 (0.38) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL23052587 0.77 NT5E (0.49) P2RY1
SCHEMBL12253963 0.74 DNPH1 (0.41) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL20324789 0.73 STING1 (0.31) DNPH1PRKAB2TRPM2LDHAADRB2
SCHEMBL17106826 0.72 — —
SCHEMBL20327564 0.71 POLB (0.46) P2RY2P2RY1
SCHEMBL17106740 0.71 ADRB1 (0.40) ADORA1PDE4DPDE3ASMN1; SMN2

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-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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
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