SCHEMBL22857793

SCHEMBL22857793

CCCn1c(NC(=O)c2cc(C)nn2CCF)nc2cc(C(N)=O)cc(OCCCNC(=O)OC(C)(C)C)c21

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.75
CYP3A4 P08684 1/20 0.72

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
SCHEMBL22857868 0.94 STING1 (0.85) STING1CYP3A4
SCHEMBL22857824 0.92 STING1 (0.82) STING1CYP3A4
SCHEMBL22857795 0.89 STING1 (0.77) STING1
SCHEMBL21789639 0.88 STING1 (0.76) STING1
SCHEMBL30947787 0.86 STING1 (1.00) STING1CYP3A4
SCHEMBL29240412 0.86 STING1 (1.00) STING1CYP3A4
SCHEMBL22857794 0.85 STING1 (0.68) STING1CYP3A4
SCHEMBL21789957 0.84 STING1 (0.83) STING1CYP3A4
SCHEMBL25098273 0.84 STING1 (1.00) STING1CYP3A4
SCHEMBL25098277 0.84 STING1 (0.90) 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
WO-2021000770-A1 HETEROCYCLIC COMPOUND CAPABLE OF ENHANCING IMMUNE ACTIVITY, PREPARATION METHOD THEREFOR AND APPLICATION IN MEDICINE 凯复制药有限公司 2021-01-07 WO disclosed