SCHEMBL19662415

SCHEMBL19662415

CCCC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[PH](=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
P2RY1 P47900 4/20 0.44
ENPP1 P22413 1/20 0.44
DNPH1 O43598 1/20 0.44
PRKAB2 O43741 1/20 0.44
TRPM2 O94759 1/20 0.44
LDHA P00338 1/20 0.44
ADRB2 P07550 1/20 0.44
FBP1 P09467 1/20 0.44
SRC P12931 1/20 0.44
ADORA1 P30542 1/20 0.44
P2RY2 P41231 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PDE4D Q08499 1/20 0.44
KCNH2 Q12809 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44

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
SCHEMBL19662422 0.90 P2RY1 (0.49) POLBP2RY1ENPP1TRPM2SRC
SCHEMBL18855472 0.89 POLB (0.51) POLBP2RY1ENPP1DNPH1PRKAB2
SCHEMBL19662420 0.85 P2RX3 (0.52) POLBP2RY1ENPP1TRPM2SRC
SCHEMBL19662419 0.84 POLB (0.45) POLBP2RY1ENPP1DNPH1PRKAB2
SCHEMBL19662618 0.84 P2RX3 (0.54) POLBP2RY1ENPP1SRCP2RY2
SCHEMBL21787025 0.84 P2RX3 (0.54) POLBP2RY1ENPP1SRCP2RY2
SCHEMBL23734317 0.83 P2RX3 (0.56) POLBP2RY1ENPP1TRPM2SRC
SCHEMBL19662096 0.83 P2RX3 (0.56) POLBP2RY1ENPP1TRPM2SRC
SCHEMBL23734155 0.83 P2RX3 (0.56) POLBP2RY1ENPP1TRPM2SRC
SCHEMBL24913398 0.82 P2RX3 (0.55) POLBP2RY1ENPP1TRPM2SRC

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-2017205336-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-30 WO disclosed