SCHEMBL28609206

SCHEMBL28609206

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCCC3CCCOC3)c21

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.63
CYP3A4 P08684 1/20 0.56

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
SCHEMBL28924008 0.94 STING1 (0.66) STING1CYP3A4
SCHEMBL21157495 0.94 STING1 (0.66) STING1CYP3A4
SCHEMBL19451593 0.93 STING1 (0.67) STING1CYP3A4
SCHEMBL20880636 0.93 STING1 (0.67) STING1CYP3A4
SCHEMBL19451591 0.87 STING1 (0.61) STING1CYP3A4
SCHEMBL21156984 0.87 STING1 (0.77) STING1CYP3A4
SCHEMBL21157498 0.86 STING1 (0.78) STING1
SCHEMBL21157494 0.86 STING1 (0.78) STING1
SCHEMBL21158084 0.86 STING1 (0.78) STING1
SCHEMBL23227988 0.86 STING1 (0.78) 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