SCHEMBL21789998

SCHEMBL21789998

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1[C@@H](CCCn1c(NC(O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCO)c21)CN3CCOC

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.60

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
SCHEMBL21789977 0.89 STING1 (0.66) STING1
SCHEMBL21789981 0.86 STING1 (0.72) STING1
SCHEMBL21790386 0.86 STING1 (0.59) STING1
SCHEMBL21790005 0.85 STING1 (0.69) STING1
SCHEMBL21790004 0.84 STING1 (0.56) STING1
SCHEMBL21790000 0.84 STING1 (0.57) STING1
SCHEMBL21789985 0.84 STING1 (0.64) STING1
SCHEMBL21790022 0.83 STING1 (0.71) STING1
SCHEMBL21790434 0.82 STING1 (0.54) STING1
SCHEMBL21789996 0.82 STING1 (0.60) 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-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed