SCHEMBL28597027

SCHEMBL28597027

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CC(O)C(O)Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 18/20 0.81
▸ TBK1 Q9UHD2 1/20 0.80
▸ ENPP1 P22413 2/20 0.53

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
SCHEMBL19451477 1.00 STING1 (0.81) STING1TBK1ENPP1
SCHEMBL29702099 1.00 STING1 (0.81) STING1TBK1ENPP1
SCHEMBL19451797 0.92 STING1 (0.78) STING1TBK1ENPP1
SCHEMBL19437661 0.91 STING1 (0.87) STING1TBK1ENPP1
SCHEMBL24467542 0.91 STING1 (0.69) STING1TBK1ENPP1
SCHEMBL19451482 0.91 STING1 (0.80) STING1TBK1
SCHEMBL24467533 0.91 STING1 (0.80) STING1TBK1
SCHEMBL29702073 0.91 STING1 (0.93) STING1TBK1ENPP1
SCHEMBL19451762 0.91 STING1 (0.93) STING1TBK1ENPP1
SCHEMBL19451865 0.90 STING1 (0.76) STING1TBK1ENPP1

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
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