SCHEMBL21393210

SCHEMBL21393210

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.60
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ POLB P06746 1/20 0.46
▸ POLA1 P09884 1/20 0.43
▸ IMPDH2 P12268 6/20 0.43
▸ IMPDH1 P20839 2/20 0.43
▸ P2RY1 P47900 1/20 0.42
▸ P2RY2 P41231 1/20 0.40
▸ P2RY4 P51582 1/20 0.40
▸ P2RY6 Q15077 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
SCHEMBL23679567 0.88 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLBPOLA1
SCHEMBL20154878 0.87 KDM4E (0.71) KDM4ETAS1R3TAS1R1POLBPOLA1
SCHEMBL18521398 0.87 KDM4E (0.71) KDM4ETAS1R3TAS1R1POLBPOLA1
SCHEMBL26197044 0.87 KDM4E (0.71) KDM4ETAS1R3TAS1R1POLBPOLA1
SCHEMBL21393001 0.86 KDM4E (0.54) KDM4ETAS1R3TAS1R1POLBPOLA1
SCHEMBL20325348 0.83 POLB (0.64) TAS1R3TAS1R1POLBIMPDH2P2RY2
SCHEMBL20325346 0.83 POLB (0.64) TAS1R3TAS1R1POLBIMPDH2P2RY2
SCHEMBL20225058 0.81 KDM4E (0.57) KDM4ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL22990582 0.81 KDM4E (0.57) KDM4ETAS1R3TAS1R1POLBIMPDH2
SCHEMBL20434918 0.81 KDM4E (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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