SCHEMBL20224841

SCHEMBL20224841

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)S)C[C@H]1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.56
▸ P2RY2 P41231 3/20 0.56
▸ SRC P12931 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TRPM2 O94759 2/20 0.56
▸ TAS1R3 Q7RTX0 2/20 0.56
▸ TAS1R1 Q7RTX1 2/20 0.56
▸ DNPH1 O43598 1/20 0.56
▸ PRKAB2 O43741 1/20 0.56
▸ LDHA P00338 1/20 0.56
▸ ADRB2 P07550 1/20 0.56
▸ FBP1 P09467 1/20 0.56
▸ ADORA1 P30542 1/20 0.56
▸ PRKAG1 P54619 1/20 0.56
▸ PRKAA2 P54646 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ PRKAA1 Q13131 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ P2RY11 Q96G91 1/20 0.56

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
SCHEMBL20327548 1.00 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL21540024 1.00 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL20324624 1.00 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL22524006 1.00 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL20324919 0.92 P2RY1 (0.66) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL21417366 0.92 P2RY1 (0.66) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL20326922 0.92 P2RY1 (0.66) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL20224844 0.92 P2RY1 (0.66) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL22524005 0.90 P2RY1 (0.51) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL22524142 0.90 BCHE (0.55) P2RY1P2RY2SRCSMN1; SMN2TRPM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512861-B1 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-02-17 — — EP disclosed
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 — — WO disclosed
WO-2020016782-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2020-01-23 — — WO disclosed
WO-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 — — WO disclosed
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — WO disclosed
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