SCHEMBL29093038

SCHEMBL29093038

COn1c(N)nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 6/20 0.61
▸ IMPDH1 P20839 2/20 0.61
▸ TAS1R3 Q7RTX0 4/20 0.59
▸ TAS1R1 Q7RTX1 4/20 0.59
▸ FBP1 P09467 2/20 0.59
▸ P2RY2 P41231 2/20 0.59
▸ DNPH1 O43598 2/20 0.59
▸ PRKAB2 O43741 1/20 0.59
▸ TRPM2 O94759 1/20 0.59
▸ LDHA P00338 1/20 0.59
▸ ADRB2 P07550 1/20 0.59
▸ SRC P12931 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ P2RY1 P47900 1/20 0.59
▸ PRKAG1 P54619 1/20 0.59
▸ PRKAA2 P54646 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ PRKAA1 Q13131 1/20 0.59
▸ PDE3A Q14432 1/20 0.59

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
SCHEMBL29092957 0.93 P2RY1 (0.61) P2RY2SRCP2RY1SMN1; SMN2P2RY11
SCHEMBL31685272 0.89 TAS1R3 (0.61) IMPDH2IMPDH1TAS1R3TAS1R1FBP1
SCHEMBL28559160 0.87 ADORA2A (0.55) ADORA1
SCHEMBL28364179 0.87 TAS1R3 (0.61) IMPDH2IMPDH1TAS1R3TAS1R1FBP1
SCHEMBL31685447 0.82 DNPH1 (0.59) IMPDH2IMPDH1TAS1R3TAS1R1FBP1
SCHEMBL31685429 0.79 IMPDH2 (0.56) IMPDH2IMPDH1TAS1R3TAS1R1FBP1
SCHEMBL31685363 0.79 IMPDH2 (0.56) IMPDH2IMPDH1TAS1R3TAS1R1FBP1
E626 SCHEMBL4361871 0.79 TAS1R3 (0.61) IMPDH2IMPDH1TAS1R3TAS1R1FBP1
E626 SCHEMBL4360700 0.79 TAS1R3 (0.61) IMPDH2IMPDH1TAS1R3TAS1R1FBP1
E626 SCHEMBL94794 0.79 TAS1R3 (0.61) IMPDH2IMPDH1TAS1R3TAS1R1FBP1

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
CN-116716367-A Method for synthesizing 3' -methoxy guanosine diphosphate by multienzyme cascade reaction and application thereof 武汉糖智药业有限公司 2023-09-08 — — CN disclosed
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