SCHEMBL28635492

SCHEMBL28635492

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCC3CC3)c2n1C/C=C/CNc1c(OCCCO[Si](C)(C)C(C)(C)C)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.60
CYP3A4 P08684 1/20 0.55

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
SCHEMBL28635494 1.00 STING1 (0.60) STING1CYP3A4
SCHEMBL20876452 0.92 STING1 (0.65) STING1CYP3A4
SCHEMBL29689031 0.92 STING1 (0.65) STING1CYP3A4
SCHEMBL20876451 0.92 STING1 (0.65) STING1CYP3A4
SCHEMBL28651044 0.92 STING1 (0.63) STING1CYP3A4
SCHEMBL28651048 0.92 STING1 (0.63) STING1CYP3A4
SCHEMBL28628333 0.91 STING1 (0.72) STING1CYP3A4
SCHEMBL28628331 0.91 STING1 (0.72) STING1CYP3A4
SCHEMBL22408404 0.88 STING1 (0.52) STING1CYP3A4
SCHEMBL21630071 0.88 STING1 (0.62) 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
CN-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed