SCHEMBL22136292

SCHEMBL22136292

CCCn1c(NC)nc2cc(C(N)=O)cc(OC3CCOCC3)c21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 14/20 0.61
PDE4D Q08499 6/20 0.43
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42

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
SCHEMBL22136238 0.86 STING1 (0.62) STING1
SCHEMBL21158748 0.84 STING1 (0.61) STING1
SCHEMBL21158740 0.84 STING1 (0.86) STING1
SCHEMBL21158741 0.83 STING1 (0.59) STING1
SCHEMBL22136003 0.81 STING1 (0.66) STING1
SCHEMBL21158754 0.79 STING1 (0.89) STING1
SCHEMBL21158978 0.77 STING1 (0.51) STING1
SCHEMBL22857830 0.76 STING1 (0.46) STING1
SCHEMBL19448954 0.76 STING1 (0.62) STING1
SCHEMBL22136233 0.72 STING1 (0.68) STING1

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed