SCHEMBL24538794

SCHEMBL24538794

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)S)O1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
P2RY1 P47900 5/20 0.73
ENPP1 P22413 4/20 0.73
P2RY2 P41231 3/20 0.61
SRC P12931 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
DNPH1 O43598 1/20 0.61
PRKAB2 O43741 1/20 0.61
TRPM2 O94759 1/20 0.61
LDHA P00338 1/20 0.61
ADRB2 P07550 1/20 0.61
FBP1 P09467 1/20 0.61
ADORA1 P30542 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA2 P54646 1/20 0.61
PDE4D Q08499 1/20 0.61
KCNH2 Q12809 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PDE3A Q14432 1/20 0.61
TAS1R3 Q7RTX0 1/20 0.61

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
SCHEMBL48174 0.93 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL543475 0.93 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL11927745 0.93 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL4546151 0.93 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL18785113 0.93 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL20341113 0.93 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL7882477 0.93 POLB (0.81) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL6913685 0.93 POLB (0.75) POLBP2RY1ENPP1P2RY2SRC
Water SCHEMBL112387 0.92 POLB (0.79) POLBP2RY1ENPP1P2RY2SRC
SCHEMBL12850611 0.90 POLB (0.77) POLBP2RY1ENPP1P2RY2SRC

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-2022127914-A1 NUCLEOSIDE-THIODIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-23 WO disclosed