SCHEMBL21376544

SCHEMBL21376544

CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2F)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
POLA1 P09884 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
NT5E P21589 2/20 0.38
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL20782390 1.00 KDM4E (0.58) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL21637043 1.00 KDM4E (0.58) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL21636987 0.92 KDM4E (0.53) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL23487519 0.90 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL19146280 0.90 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL24222098 0.90 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL22883498 0.90 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL28719205 0.90 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL18521398 0.86 KDM4E (0.71) KDM4ETAS1R3TAS1R1POLA1ALDH1A1
SCHEMBL20154878 0.86 KDM4E (0.71) KDM4ETAS1R3TAS1R1POLA1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936514-B1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-05-24 EP disclosed
WO-2022007986-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V. V. I. (CZ) 2022-01-13 WO disclosed
EP-3922637-A1 MODIFIED OLIGONUCLEOTIDES FOR USE IN TREATMENT OF TAUOPATHIES Janssen Pharmaceutica NV (BE) 2021-12-15 EP disclosed
WO-2019175260-A2 MODIFIED OLIGONUCLEOTIDES AND METHODS OF USE IN TAUOPATHIES JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 WO disclosed