SCHEMBL21789970

SCHEMBL21789970

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1[C@@H](CCCNc1c(N)cc(C(N)=O)cc1OCCCO[Si](C)(C)C(C)(C)C)CN3C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.51
CYP3A4 P08684 1/20 0.45

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
SCHEMBL21789968 0.89 STING1 (0.59) STING1CYP3A4
SCHEMBL21790018 0.82 STING1 (0.53) STING1CYP3A4
SCHEMBL21789985 0.81 STING1 (0.64) STING1
SCHEMBL21790398 0.81 STING1 (0.57) STING1
SCHEMBL21789949 0.81 STING1 (0.53) STING1CYP3A4
SCHEMBL21753411 0.80 STING1 (0.57) STING1
SCHEMBL21790079 0.80 STING1 (0.57) STING1
SCHEMBL21789981 0.80 STING1 (0.72) STING1
SCHEMBL21753586 0.80 STING1 (0.56) STING1
SCHEMBL21789969 0.80 STING1 (0.60) 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