SCHEMBL22990582

SCHEMBL22990582

CC(C)C(=O)Nc1nc2c(ncn2C2CC[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ TAS1R3 Q7RTX0 2/20 0.57
▸ TAS1R1 Q7RTX1 2/20 0.57
▸ IMPDH2 P12268 7/20 0.45
▸ IMPDH1 P20839 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ P2RY1 P47900 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
SCHEMBL20434918 1.00 KDM4E (0.57) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL20225058 1.00 KDM4E (0.57) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL21393001 0.94 KDM4E (0.54) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL22087964 0.93 KDM4E (0.55) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL18963691 0.90 KDM4E (0.58) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL24513564 0.90 KDM4E (0.52) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL21636978 0.89 KDM4E (0.51) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL22087557 0.88 KDM4E (0.55) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL15688224 0.88 TAS1R3 (0.55) TAS1R3TAS1R1IMPDH2IMPDH1ALDH1A1
SCHEMBL21393002 0.87 TAS1R3 (0.48) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1

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
EP-3512861-B1 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-02-17 — — EP disclosed
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