SCHEMBL21896069

SCHEMBL21896069

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O/C=C2\[C@H](n3c(=O)[nH]c4c(N)ncnc43)O[C@H](COP(=O)(O)O)[C@H]2O)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.46
▸ P2RY2 P41231 3/20 0.46
▸ SRC P12931 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ 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
▸ ADORA1 P30542 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
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ P2RY11 Q96G91 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
SCHEMBL23679551 0.75 RNASEL (0.52) RNASEL
SCHEMBL29324115 0.74 TGM2 (0.44) P2RY1P2RY2SRCSMN1; SMN2TAS1R3
SCHEMBL29323926 0.73 RNASEL (0.58) RNASEL
SCHEMBL23679813 0.72 RNASEL (0.64) RNASEL
SCHEMBL23679552 0.72 DTYMK (0.42) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL23679816 0.72 FHIT (0.44) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL30299503 0.70 P2RY1 (0.60) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL28344295 0.70 P2RY1 (0.60) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29330465 0.70 RNASEL (0.49) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL16871807 0.68 POLB (0.53) P2RY1TRPM2DTYMK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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