SCHEMBL21766434

SCHEMBL21766434

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.33
STING1 Q86WV6 4/20 0.32
SLC2A1 P11166 1/20 0.31
SLC2A3 P11169 1/20 0.31
SLC2A4 P14672 1/20 0.31
FPR1 P21462 1/20 0.31
ITK Q08881 1/20 0.30
RIPK1 Q13546 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30
GPR6 P46095 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL21766431 0.89 ENPP1 (0.33) ENPP1STING1SLC2A1SLC2A3SLC2A4
SCHEMBL21766435 0.87 STING1 (0.41) STING1
SCHEMBL21766530 0.85 STING1 (0.34) ENPP1STING1SLC2A1SLC2A3SLC2A4
SCHEMBL21766514 0.85 ENPP1 (0.46) ENPP1STING1
SCHEMBL21766535 0.78 STING1 (0.33) ENPP1STING1SLC2A1SLC2A3SLC2A4
SCHEMBL21766453 0.78 STING1 (0.41) STING1
SCHEMBL21766439 0.78 STING1 (0.41) ENPP1STING1
SCHEMBL21766501 0.77 ENPP1 (0.32) ENPP1STING1SLC2A1SLC2A3SLC2A4
SCHEMBL21753416 0.76 STING1 (0.42) STING1
SCHEMBL21766301 0.74 ENPP1 (0.48) ENPP1STING1

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