SCHEMBL21158744

SCHEMBL21158744

CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(SCCO)c21

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.71
TBK1 Q9UHD2 1/20 0.58

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
SCHEMBL21158737 0.92 STING1 (0.73) STING1TBK1
SCHEMBL21158747 0.88 STING1 (0.73) STING1
SCHEMBL19437691 0.86 STING1 (0.80) STING1TBK1
SCHEMBL22135266 0.85 STING1 (0.70) STING1TBK1
SCHEMBL19437709 0.85 STING1 (0.79) STING1TBK1
SCHEMBL19437612 0.85 STING1 (0.79) STING1TBK1
SCHEMBL19437642 0.84 STING1 (0.77) STING1TBK1
SCHEMBL22119605 0.84 STING1 (0.69) STING1TBK1
SCHEMBL21158731 0.84 STING1 (0.76) STING1TBK1
SCHEMBL22135272 0.84 STING1 (0.76) STING1TBK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed
WO-2019134707-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed