SCHEMBL21790365

SCHEMBL21790365

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCOCCOC)c2n1CC

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.73
CYP3A4 P08684 1/20 0.63
ENPP1 P22413 1/20 0.62

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
SCHEMBL23637091 0.94 STING1 (0.82) STING1
SCHEMBL21790400 0.93 STING1 (0.78) STING1CYP3A4
SCHEMBL19437722 0.92 STING1 (0.86) STING1
SCHEMBL21790381 0.90 STING1 (0.84) STING1CYP3A4
SCHEMBL23637206 0.89 STING1 (0.74) STING1CYP3A4ENPP1
SCHEMBL19437569 0.89 STING1 (0.88) STING1ENPP1
SCHEMBL23637232 0.88 STING1 (0.75) STING1CYP3A4
SCHEMBL21789757 0.88 STING1 (0.88) STING1
SCHEMBL21789979 0.88 STING1 (0.74) STING1CYP3A4
SCHEMBL22857814 0.87 STING1 (0.90) 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-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed