SCHEMBL21393001

SCHEMBL21393001

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC[C@@H](COP(=O)(O)S)O2)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ IMPDH2 P12268 6/20 0.39
▸ IMPDH1 P20839 2/20 0.39
▸ POLA1 P09884 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL21393002 0.94 TAS1R3 (0.48) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL22990582 0.94 KDM4E (0.57) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL20225058 0.94 KDM4E (0.57) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL20434918 0.94 KDM4E (0.57) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL22087964 0.92 KDM4E (0.55) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL22524143 0.88 TAS1R3 (0.47) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL18963691 0.88 KDM4E (0.58) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL24513564 0.88 KDM4E (0.52) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL21636978 0.87 KDM4E (0.51) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL21393210 0.86 KDM4E (0.60) KDM4ETAS1R3TAS1R1POLBIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
WO-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 — — WO disclosed
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