SCHEMBL30386339

SCHEMBL30386339

O=C(Nc1ccc(C(F)(F)F)cc1F)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 3/20 0.52
▸ CHRNA7 P36544 1/20 0.47
▸ IGF1R P08069 4/20 0.46
▸ SNCA P37840 3/20 0.45
▸ TMPRSS4 Q9NRS4 1/20 0.45
▸ GRIK1 P39086 2/20 0.44
▸ NTRK1 P04629 2/20 0.43
▸ CDK19 Q9BWU1 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ SOS1 Q07889 1/20 0.42
▸ BRAF P15056 1/20 0.41

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
SCHEMBL28991331 1.00 STING1 (0.52) STING1CHRNA7IGF1RSNCATMPRSS4
SCHEMBL30387511 0.89 SNCA (0.51) STING1CHRNA7SNCAGRIK1
SCHEMBL28991293 0.89 SNCA (0.51) STING1CHRNA7SNCAGRIK1
SCHEMBL30885411 0.86 STING1 (0.70) STING1SNCATMPRSS4GRIK1NTRK1
SCHEMBL30387362 0.81 STING1 (0.62) STING1SNCATMPRSS4GRIK1BRAF
SCHEMBL28991278 0.81 STING1 (0.62) STING1SNCATMPRSS4GRIK1BRAF
SCHEMBL23207649 0.78 STING1 (0.65) STING1GRIK1
SCHEMBL29307516 0.76 F7 (0.51) STING1F7F3
SCHEMBL22049870 0.76 P2RY1 (0.49) STING1IGF1RBRAF
SCHEMBL22803837 0.76 STING1 (0.77) STING1GRIK1MEN1KMT2A

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
CN-116023321-B STING inhibitor prodrug and medical application thereof 中国药科大学 2024-11-29 — — CN disclosed
CN-116023321-A STING inhibitor prodrug and medical application thereof 中国药科大学 2023-04-28 — — CN disclosed
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