SCHEMBL20224908

SCHEMBL20224908

N=P(O)(O)OCC1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.51
▸ ADA P00813 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ P2RY1 P47900 5/20 0.49
▸ P2RY2 P41231 3/20 0.49
▸ SRC P12931 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ DNPH1 O43598 1/20 0.49
▸ PRKAB2 O43741 1/20 0.49
▸ TRPM2 O94759 1/20 0.49
▸ LDHA P00338 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ FBP1 P09467 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA2 P54646 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PDE3A Q14432 1/20 0.49

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
SCHEMBL20225019 0.89 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18837728 0.89 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL22990586 0.89 BCHE (0.51) BCHEADAPOLBP2RY1P2RY2
SCHEMBL20225033 0.89 BCHE (0.51) BCHEADAPOLBP2RY1P2RY2
SCHEMBL285262 0.89 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL20225051 0.89 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL22842814 0.89 BCHE (0.51) BCHEADAPOLBP2RY1P2RY2
SCHEMBL20663978 0.89 BCHE (0.51) BCHEADAPOLBP2RY1P2RY2
SCHEMBL20959779 0.89 P2RY1 (0.62) POLBP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL6915658 0.89 BCHE (0.51) BCHEADAPOLBP2RY1P2RY2

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-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — WO disclosed
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