SCHEMBL30013680

SCHEMBL30013680

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1[C@@H](C/C=C\C[C@H]1CN(C)c2cc(C(N)=O)cc4nc(NC(=O)c5cc(C)nn5CC)n1c24)CN3C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.55
TBK1 Q9UHD2 1/20 0.52

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
SCHEMBL22109958 1.00 STING1 (0.55) STING1TBK1
SCHEMBL30013750 1.00 STING1 (0.55) STING1TBK1
SCHEMBL22109957 1.00 STING1 (0.55) STING1TBK1
SCHEMBL22109961 0.94 STING1 (0.58) STING1TBK1
SCHEMBL30014099 0.94 STING1 (0.58) STING1TBK1
SCHEMBL23637108 0.93 STING1 (0.57) STING1TBK1
SCHEMBL21766131 0.93 STING1 (0.57) STING1TBK1
SCHEMBL21790079 0.93 STING1 (0.57) STING1TBK1
SCHEMBL22110064 0.92 STING1 (0.52) STING1
SCHEMBL22110065 0.92 STING1 (0.52) 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
CN-113195473-B Tricyclic compound as STING agonist and preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed