SCHEMBL21789979

SCHEMBL21789979

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

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.74
CYP3A4 P08684 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
SCHEMBL21790049 0.94 STING1 (0.84) STING1
SCHEMBL23637208 0.92 STING1 (0.78) STING1CYP3A4
SCHEMBL29791173 0.91 STING1 (0.85) STING1CYP3A4
SCHEMBL19451834 0.91 STING1 (0.85) STING1CYP3A4
SCHEMBL20876349 0.91 STING1 (0.85) STING1CYP3A4
SCHEMBL21790400 0.91 STING1 (0.78) STING1CYP3A4
SCHEMBL21790381 0.91 STING1 (0.84) STING1CYP3A4
SCHEMBL19437673 0.90 STING1 (0.82) STING1
SCHEMBL23637232 0.89 STING1 (0.75) STING1CYP3A4
SCHEMBL25073979 0.88 STING1 (0.81) STING1CYP3A4

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