SCHEMBL21789749

SCHEMBL21789749

CCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1[C@@H](CCCNC(=O)OC(C)(C)C)CO3

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.48
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL21790430 0.92 STING1 (0.48) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21789798 0.92 STING1 (0.50) STING1CYP3A4
SCHEMBL21766427 0.91 STING1 (0.47) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21789753 0.88 STING1 (0.42) STING1
SCHEMBL30882062 0.87 STING1 (0.64) STING1CYP3A4
SCHEMBL21766137 0.87 STING1 (0.64) STING1CYP3A4
SCHEMBL21753416 0.85 STING1 (0.42) STING1
SCHEMBL21790426 0.84 STING1 (0.50) STING1CYP3A4
SCHEMBL21766411 0.83 STING1 (0.62) STING1CYP3A4
SCHEMBL21789750 0.82 STING1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 EP disclosed
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