SCHEMBL1106660

SCHEMBL1106660

CC(C)(C)[Si](C)(C)O[C@H]1C2O[P@](=O)(S)OCC2O[C@H]1n1c(-c2ccsc2)nc2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPM2 O94759 1/20 0.44
STING1 Q86WV6 7/20 0.42
PDE4A P27815 7/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
PDE4D Q08499 7/20 0.41
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL14005672 1.00 RAPGEF3 (0.45) RAPGEF3MEN1KMT2ATRPM2STING1
SCHEMBL14030554 1.00 RAPGEF3 (0.45) RAPGEF3MEN1KMT2ATRPM2STING1
SCHEMBL1106657 0.88 PDE4A (0.45) RAPGEF3MEN1KMT2ASTING1PDE4A
SCHEMBL1106668 0.87 RAPGEF3 (0.42) RAPGEF3MEN1KMT2ATRPM2STING1
SCHEMBL15906304 0.87 RAPGEF3 (0.42) RAPGEF3MEN1KMT2ATRPM2STING1
SCHEMBL10098848 0.87 RAPGEF3 (0.42) RAPGEF3MEN1KMT2ATRPM2STING1
SCHEMBL15906305 0.85 PDE4A (0.58) RAPGEF3TRPM2STING1PDE4APDE4B
SCHEMBL10098849 0.85 PDE4A (0.58) RAPGEF3TRPM2STING1PDE4APDE4B
SCHEMBL1106672 0.85 PDE4A (0.58) RAPGEF3TRPM2STING1PDE4APDE4B
SCHEMBL14260883 0.84 PDE4A (0.46) RAPGEF3MEN1KMT2ASTING1PDE4A

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
US-8153609-B2 Purine nucleotide derivatives LAURAS AS (NO) 2012-04-10 US disclosed