SCHEMBL17685306

SCHEMBL17685306

CC(C)(C)C1CC(O)(Cc2cccc3nc(Nc4ccc(F)cc4)nn23)CCN1C(=O)O.OC1(Cc2cccc3nc(Nc4ccc(F)cc4)nn23)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.35
JAK3 P52333 15/20 0.35
PTK2 Q05397 13/20 0.35
TYK2 P29597 3/20 0.34
JAK1 P23458 2/20 0.31

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
SCHEMBL17685305 0.89 JAK2 (0.35) JAK2JAK3PTK2TYK2JAK1
SCHEMBL2144133 0.84 JAK2 (0.39) JAK2JAK3PTK2TYK2JAK1
SCHEMBL2145071 0.82 TYK2 (0.42) JAK2JAK3PTK2TYK2JAK1
SCHEMBL13504284 0.77 JAK2 (0.54) JAK2JAK3PTK2TYK2JAK1
SCHEMBL3301001 0.72 MEN1 (0.36) JAK2JAK3PTK2TYK2JAK1
SCHEMBL3300104 0.71 TYK2 (0.37) JAK2JAK3PTK2TYK2JAK1
SCHEMBL3303494 0.66 JAK2 (0.50) JAK2JAK3PTK2JAK1
SCHEMBL2144195 0.66 JAK2 (0.40) JAK2JAK3PTK2TYK2JAK1
SCHEMBL3860639 0.65 SMN1; SMN2 (0.37)
SCHEMBL3301448 0.63 JAK2 (0.44) JAK2JAK3PTK2JAK1

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
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed