SCHEMBL16795182

SCHEMBL16795182

Cc1ccn2ncc(-c3nc(Cl)c(F)c(NC4CCCN(C(=O)O)C4)n3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.64
JAK1 P23458 20/20 0.64
JAK3 P52333 20/20 0.64

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
SCHEMBL18302190 1.00 JAK2 (0.64) JAK2JAK1JAK3
SCHEMBL16795188 0.89 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL22364286 0.89 JAK2 (0.59) JAK2JAK1JAK3
SCHEMBL16795190 0.89 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL16795127 0.87 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL18302331 0.87 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL18302148 0.86 JAK2 (0.85) JAK2JAK1JAK3
SCHEMBL18302213 0.82 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL16795406 0.82 JAK2 (0.66) JAK2JAK1JAK3
SCHEMBL22364288 0.81 JAK2 (0.47) JAK2JAK1JAK3

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed