SCHEMBL21158095

SCHEMBL21158095

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC3COC3)c2n1C/C=C/CNc1ncc(C(=O)OC)cc1N

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.68
CYP3A4 P08684 1/20 0.52

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
SCHEMBL21158097 0.90 STING1 (0.73) STING1CYP3A4
SCHEMBL21616429 0.88 STING1 (0.72) STING1CYP3A4
SCHEMBL21157493 0.86 STING1 (0.81) STING1CYP3A4
SCHEMBL21158082 0.86 STING1 (0.77) STING1CYP3A4
SCHEMBL21158089 0.85 STING1 (0.81) STING1CYP3A4
SCHEMBL21616408 0.84 STING1 (0.62) STING1CYP3A4
SCHEMBL21157496 0.82 STING1 (0.77) STING1
SCHEMBL28651038 0.82 STING1 (0.77) STING1
SCHEMBL21158091 0.82 STING1 (0.81) STING1CYP3A4
SCHEMBL21158090 0.82 STING1 (0.71) 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-2019134705-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed