SCHEMBL20224844

SCHEMBL20224844

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 2/20 0.66
▸ DNPH1 O43598 1/20 0.66
▸ PRKAB2 O43741 1/20 0.66
▸ TRPM2 O94759 1/20 0.66
▸ LDHA P00338 1/20 0.66
▸ ADRB2 P07550 1/20 0.66
▸ FBP1 P09467 1/20 0.66
▸ SRC P12931 1/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ P2RY2 P41231 1/20 0.66
▸ PRKAG1 P54619 1/20 0.66
▸ PRKAA2 P54646 1/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ KCNH2 Q12809 1/20 0.66
▸ PRKAA1 Q13131 1/20 0.66
▸ PDE3A Q14432 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ TAS1R3 Q7RTX0 1/20 0.66
▸ TAS1R1 Q7RTX1 1/20 0.66
▸ P2RY11 Q96G91 1/20 0.66

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
SCHEMBL20324919 1.00 P2RY1 (0.66) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL21417366 1.00 P2RY1 (0.66) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20326922 1.00 P2RY1 (0.66) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20324624 0.92 P2RY1 (0.56) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL22524006 0.92 P2RY1 (0.56) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20224841 0.92 P2RY1 (0.56) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL21540024 0.92 P2RY1 (0.56) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL20327548 0.92 P2RY1 (0.56) P2RY1DNPH1PRKAB2TRPM2LDHA
SCHEMBL29673204 0.91 P2RX3 (0.66) P2RY1TRPM2SRCP2RY2SMN1; SMN2
SCHEMBL15698480 0.91 P2RX3 (0.66) P2RY1TRPM2SRCP2RY2SMN1; 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 3 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-2020016782-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2020-01-23 — — WO disclosed
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — WO disclosed
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