SCHEMBL30173303

SCHEMBL30173303

Fc1ccc(-c2cnc3[nH]ccc3c2NC2CCCCC2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.65
JAK2 O60674 7/20 0.65
JAK3 P52333 1/20 0.45
HPGDS O60760 1/20 0.44

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
SCHEMBL28602167 1.00 JAK1 (0.65) JAK1JAK2JAK3HPGDS
SCHEMBL30173275 0.87 JAK1 (0.69) JAK1JAK2HPGDS
SCHEMBL28608389 0.87 JAK1 (0.69) JAK1JAK2HPGDS
SCHEMBL28603786 0.84 JAK1 (0.65) JAK1JAK2HPGDS
SCHEMBL30173313 0.84 JAK1 (0.65) JAK1JAK2HPGDS
SCHEMBL30173315 0.84 JAK1 (0.62) JAK1JAK2JAK3
SCHEMBL28919429 0.84 JAK1 (0.62) JAK1JAK2JAK3
SCHEMBL30173292 0.83 JAK1 (0.64) JAK1JAK2JAK3
SCHEMBL30173344 0.82 JAK1 (0.69) JAK1JAK2JAK3
SCHEMBL30173268 0.82 JAK1 (0.72) JAK1JAK2JAK3HPGDS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200983-B Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2023-01-03 CN disclosed