SCHEMBL21158084

SCHEMBL21158084

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OC3CCOC3)c21

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.78
TBK1 Q9UHD2 1/20 0.57

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
SCHEMBL21157498 1.00 STING1 (0.78) STING1TBK1
SCHEMBL21157494 1.00 STING1 (0.78) STING1TBK1
SCHEMBL21157496 0.95 STING1 (0.77) STING1TBK1
SCHEMBL28651038 0.95 STING1 (0.77) STING1TBK1
SCHEMBL21158114 0.92 STING1 (0.82) STING1
SCHEMBL28924678 0.90 STING1 (0.79) STING1
SCHEMBL28924683 0.90 STING1 (0.79) STING1
SCHEMBL19451593 0.87 STING1 (0.67) STING1
SCHEMBL20880636 0.87 STING1 (0.67) STING1
SCHEMBL21158754 0.87 STING1 (0.89) 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