SCHEMBL28634862

SCHEMBL28634862

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CC=CCNc1c(OCCC2COC2)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.52
TBK1 Q9UHD2 1/20 0.50

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
SCHEMBL28634858 1.00 STING1 (0.52) STING1TBK1
SCHEMBL28628479 0.91 STING1 (0.53) STING1TBK1
SCHEMBL28628476 0.91 STING1 (0.53) STING1TBK1
SCHEMBL20066421 0.91 STING1 (0.56) STING1TBK1
SCHEMBL28650840 0.90 STING1 (0.51) STING1
SCHEMBL28650836 0.90 STING1 (0.51) STING1
SCHEMBL29012743 0.89 STING1 (0.67) STING1TBK1
SCHEMBL22428388 0.89 STING1 (0.67) STING1TBK1
SCHEMBL22121432 0.88 STING1 (0.56) STING1TBK1
SCHEMBL22121438 0.88 STING1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed