SCHEMBL20324886

SCHEMBL20324886

Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)OC[C@@H]2CC[C@H](n3cnc4c(=O)[nH]ncc43)O2)[C@@H](COP(=O)(O)O)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ DNPH1 O43598 1/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ TRPM2 O94759 1/20 0.46
▸ LDHA P00338 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46

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
SCHEMBL20325279 1.00 RNASEL (0.48) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL25582525 0.91 RNASEL (0.57) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL20327065 0.90 RNASEL (0.48) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL20324588 0.90 RNASEL (0.48) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL21539867 0.89 ALDH1A1 (0.51) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL21540035 0.89 ALDH1A1 (0.51) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL21539898 0.89 ALDH1A1 (0.51) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL20327585 0.88 RNASEL (0.62) RNASELDNPH1PRKAB2TRPM2LDHA
SCHEMBL20782764 0.87 TERT (0.53) RNASELPOLBP2RY2
SCHEMBL20325223 0.87 TERT (0.53) RNASELPOLBP2RY2

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
Send feedback