SCHEMBL30105919

SCHEMBL30105919

COc1cccc2c(N[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)ncnc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 6/20 0.45
▸ P2RY2 P41231 2/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.42
▸ GAPDH P04406 1/20 0.41
▸ P2RY6 Q15077 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ FBP1 P09467 1/20 0.40

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
SCHEMBL29062120 0.85 ADK (0.47) —
SCHEMBL29062123 0.85 ADK (0.47) —
SCHEMBL30105884 0.85 ADK (0.47) —
SCHEMBL32663634 0.78 TAS1R3 (0.55) DNPH1P2RY2TAS1R3TAS1R1FBP1
SCHEMBL17612662 0.76 FBP1 (0.50) DNPH1P2RY2TAS1R3TAS1R1FBP1
SCHEMBL30105932 0.73 ENPP1 (0.47) AURKARPS6KB1
SCHEMBL30583764 0.73 ENPP1 (0.47) AURKARPS6KB1
SCHEMBL28926152 0.72 ENPP1 (0.51) AURKARPS6KB1
SCHEMBL30105949 0.72 ENPP1 (0.51) AURKARPS6KB1
SCHEMBL1513025 0.71 FBP1 (0.55) DNPH1P2RY2P2RY12FBP1

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-115536696-A ENPP1 inhibitors 上海齐鲁制药研究中心有限公司 2022-12-30 — — CN disclosed
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