SCHEMBL30173297

SCHEMBL30173297

c1ccc(-c2cccc(-c3cnc4[nH]ccc4c3NC3CCCCC3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.65
JAK2 O60674 9/20 0.65
JAK3 P52333 3/20 0.48

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
SCHEMBL28594552 1.00 JAK1 (0.65) JAK1JAK2JAK3
SCHEMBL30173268 0.92 JAK1 (0.72) JAK1JAK2JAK3
SCHEMBL28603790 0.92 JAK1 (0.72) JAK1JAK2JAK3
SCHEMBL30173292 0.88 JAK1 (0.64) JAK1JAK2JAK3
SCHEMBL28597942 0.88 JAK1 (0.64) JAK1JAK2JAK3
SCHEMBL30173293 0.83 JAK1 (0.67) JAK1JAK2JAK3
SCHEMBL28614739 0.83 JAK1 (0.67) JAK1JAK2JAK3
SCHEMBL28603786 0.82 JAK1 (0.65) JAK1JAK2
SCHEMBL30173335 0.81 JAK1 (0.68) JAK1JAK2JAK3
SCHEMBL28598989 0.81 JAK1 (0.71) JAK1JAK2

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