SCHEMBL23679567

SCHEMBL23679567

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.59
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ P2RY1 P47900 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ IMPDH2 P12268 2/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ POLA1 P09884 1/20 0.39

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
SCHEMBL26991473 0.91 KDM4E (0.62) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL24513568 0.90 KDM4E (0.57) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL29637907 0.90 KDM4E (0.57) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL29637899 0.90 KDM4E (0.57) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL24548428 0.90 KDM4E (0.57) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL24513567 0.90 KDM4E (0.57) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL24548434 0.90 KDM4E (0.57) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL25382010 0.90 KDM4E (0.63) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL9703289 0.88 KDM4E (0.74) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL22315215 0.88 KDM4E (0.74) KDM4ETAS1R3TAS1R1P2RY1POLB

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-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
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