SCHEMBL30984634

SCHEMBL30984634

Nc1nc2c(ncn2[C@]2(Sc3ccc(Cl)cc3)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.46
EIF4E P06730 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
POLB P06746 1/20 0.44
IMPDH2 P12268 5/20 0.44
KRAS P01116 3/20 0.43
TGM2 P21980 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
P2RY2 P41231 1/20 0.43
P2RY4 P51582 1/20 0.43
P2RY6 Q15077 1/20 0.43
PNP P00491 1/20 0.42
XDH P47989 1/20 0.42
IMPDH1 P20839 1/20 0.42

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
SCHEMBL30984623 0.94 NT5E (0.47) NT5ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL30984598 0.94 NT5E (0.46) NT5ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL30984603 0.91 IMPDH2 (0.46) NT5EEIF4ETAS1R3TAS1R1POLB
SCHEMBL30984610 0.86 TAS1R3 (0.48) NT5EEIF4ETAS1R3TAS1R1POLB
SCHEMBL30984597 0.86 NT5E (0.48) NT5EEIF4ETAS1R3TAS1R1POLB
SCHEMBL30984613 0.84 NT5E (0.44) NT5ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL2826609 0.83 NT5E (0.53) NT5ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL14659959 0.81 NT5E (0.51) NT5ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL407396 0.81 NT5E (0.51) NT5ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL29093615 0.80 NT5E (0.52) NT5ETAS1R3TAS1R1POLBIMPDH2

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-117999269-A Improved process for producing cyclic guanosine monophosphate analogues 米雷卡医药有限公司 2024-05-07 CN disclosed