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SCHEMBL28614917

SCHEMBL28614917

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CC=CCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCCN)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 1.00
▸ CYP3A4 P08684 1/20 0.79

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
SCHEMBL19451812 1.00 STING1 (1.00) STING1CYP3A4
SCHEMBL30206875 1.00 STING1 (1.00) STING1CYP3A4
SCHEMBL24467473 0.95 STING1 (0.90) STING1CYP3A4
SCHEMBL20886134 0.95 STING1 (0.90) STING1CYP3A4
SCHEMBL29626047 0.94 STING1 (1.00) STING1CYP3A4
SCHEMBL23327842 0.94 STING1 (1.00) STING1CYP3A4
SCHEMBL19451558 0.94 STING1 (1.00) STING1CYP3A4
Hydrochloric Acid SCHEMBL29619898 0.93 STING1 (0.98) STING1CYP3A4
Hydrochloric Acid SCHEMBL29626056 0.93 STING1 (0.98) STING1CYP3A4
SCHEMBL19451788 0.93 STING1 (0.87) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549110-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-26 — — CN disclosed
CN-109608443-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 — — CN disclosed
CN-109071514-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-07-06 — — CN disclosed