SCHEMBL16647420

SCHEMBL16647420

[N-]=[N+]=NC[C@]1(COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.51
▸ P2RY2 P41231 3/20 0.51
▸ SRC P12931 2/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ P2RY11 Q96G91 1/20 0.51

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
SCHEMBL16368315 0.93 P2RX1 (0.53) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL16380340 0.93 P2RX1 (0.53) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL16373932 0.87 AHCY (0.56) ADORA1SMN1; SMN2AHCYALDH1A1
SCHEMBL16374027 0.87 AHCY (0.56) ADORA1SMN1; SMN2AHCYALDH1A1
SCHEMBL20629214 0.83 P2RX3 (0.49) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL16367965 0.81 P2RX3 (0.41) P2RY1P2RY2SRCSMN1; SMN2P2RY11
SCHEMBL15070749 0.80 P2RX1 (0.58) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL16374216 0.80 P2RX3 (0.60) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL16374042 0.80 P2RX1 (0.58) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL16368319 0.80 P2RX3 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015054465-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-04-16 — — WO disclosed
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