SCHEMBL21766191

SCHEMBL21766191

CCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C#N)cc(I)c2n1CCCNC

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.40
ENPP1 P22413 1/20 0.38
ITK Q08881 2/20 0.37

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
SCHEMBL21766463 0.92 STING1 (0.39) STING1ENPP1ITK
SCHEMBL23585761 0.86 STING1 (0.48) STING1
SCHEMBL21766188 0.84 STING1 (0.38) STING1ENPP1ITK
SCHEMBL21766500 0.82 ENPP1 (0.36) STING1ENPP1ITK
SCHEMBL21766431 0.71 ENPP1 (0.33) STING1ENPP1
SCHEMBL21766210 0.71 ENPP1 (0.53) STING1ENPP1
SCHEMBL21766530 0.71 STING1 (0.34) STING1ENPP1ITK
SCHEMBL21766434 0.70 ENPP1 (0.33) STING1ENPP1ITK
SCHEMBL21766535 0.70 STING1 (0.33) STING1ENPP1
SCHEMBL21766449 0.69 ENPP1 (0.34) STING1ENPP1ITK

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-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
WO-2020038387-A1 HIGH ACTIVITY STING PROTEIN AGONIST 杭州阿诺生物医药科技有限公司 2020-02-27 WO disclosed