SCHEMBL24539018

SCHEMBL24539018

Nc1ncnn2c([C@H]3C[C@H](O)C(COP(=O)(O)S)O3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ P2RY1 P47900 5/20 0.39
▸ ENPP1 P22413 4/20 0.39
▸ NADK O95544 1/20 0.38
▸ NT5E P21589 2/20 0.37
▸ P2RY2 P41231 3/20 0.36
▸ TRPM2 O94759 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DNPH1 O43598 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36

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
SCHEMBL23052587 0.89 NT5E (0.49) POLBP2RY1ENPP1NT5EP2RX1
SCHEMBL20324914 0.87 P2RY1 (0.33) POLBP2RY1P2RY2TRPM2SRC
SCHEMBL20324789 0.85 STING1 (0.31) POLBP2RY1P2RY2TRPM2SRC
SCHEMBL17106740 0.82 ADRB1 (0.40) POLBSMN1; SMN2ADORA1PDE4DPDE3A
SCHEMBL20324585 0.80 DNPH1 (0.38) P2RY1P2RY2TRPM2SRCSMN1; SMN2
SCHEMBL21637014 0.77 DNPH1 (0.38) P2RY1P2RY2TRPM2SRCSMN1; SMN2
SCHEMBL19412763 0.76 AHCY (0.37) —
SCHEMBL20325339 0.75 POLB (0.31) POLBP2RY1P2RY2TRPM2SRC
SCHEMBL21943897 0.74 STING1 (0.49) POLBNT5EP2RY2
SCHEMBL18521199 0.74 STING1 (0.49) POLBNT5EP2RY2

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
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